smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002965091 1072630324 /nfs/dbraw/zinc/63/03/24/1072630324.db2.gz OGUBCEJXUVSQNP-UHFFFAOYSA-N 1 0 444.598 0.384 20 0 ICADRO NC(=[NH2+])NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)[NH2+]CC(=O)[O-] ZINC000003794149 562938004 /nfs/dbraw/zinc/93/80/04/562938004.db2.gz CDPROXZBMHOBTQ-SJORKVTESA-N 1 0 438.573 0.370 20 0 in-man ICADRO Cc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1N1CC[NH+](C)CC1 ZINC000021865579 1072360519 /nfs/dbraw/zinc/36/05/19/1072360519.db2.gz GDVBGJOEBMRJDZ-QGZVFWFLSA-N 1 0 447.561 0.851 20 0 ICADRO Cc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1N1CC[NH+](C)CC1 ZINC000021865583 1072360440 /nfs/dbraw/zinc/36/04/40/1072360440.db2.gz GDVBGJOEBMRJDZ-KRWDZBQOSA-N 1 0 447.561 0.851 20 0 ICADRO CCCNC(=O)CN1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000029622365 1072753946 /nfs/dbraw/zinc/75/39/46/1072753946.db2.gz ICTCOLBNAJKXEQ-UHFFFAOYSA-N 1 0 425.555 0.505 20 0 ICADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCNC(=O)C23C[NH2+]C3)C1=O ZINC001164410331 718878918 /nfs/dbraw/zinc/87/89/18/718878918.db2.gz AKXKROXDBUVMDD-IBGZPJMESA-N 1 0 437.907 0.295 20 0 ICADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCNC(=O)C23C[NH2+]C3)C1=O ZINC001164410334 718879012 /nfs/dbraw/zinc/87/90/12/718879012.db2.gz AKXKROXDBUVMDD-LJQANCHMSA-N 1 0 437.907 0.295 20 0 ICADRO O=C1NCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)C12C[NH2+]C2 ZINC001164410890 718878890 /nfs/dbraw/zinc/87/88/90/718878890.db2.gz IWJFKAAAGVYDMT-UHFFFAOYSA-N 1 0 428.562 0.681 20 0 ICADRO CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1CN1CC[C@H](CO)C1 ZINC001164411067 718878850 /nfs/dbraw/zinc/87/88/50/718878850.db2.gz LWZVYYRLWGFLCL-HNNXBMFYSA-N 1 0 430.553 0.159 20 0 ICADRO CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1CN1CC[C@@H](CO)C1 ZINC001164411068 718879103 /nfs/dbraw/zinc/87/91/03/718879103.db2.gz LWZVYYRLWGFLCL-OAHLLOKOSA-N 1 0 430.553 0.159 20 0 ICADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001164415861 718885291 /nfs/dbraw/zinc/88/52/91/718885291.db2.gz OHDHSPWRNCRTEH-UHFFFAOYSA-N 1 0 433.872 0.618 20 0 ICADRO CN1CCN(Cc2cc3nc(N4C[C@@H]5C[C@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164418574 718887727 /nfs/dbraw/zinc/88/77/27/718887727.db2.gz PCZGRHOPVACLDN-BTYIYWSLSA-N 1 0 429.594 0.813 20 0 ICADRO CN1CCN(Cc2cc3nc(N4C[C@H]5C[C@@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164418578 718887790 /nfs/dbraw/zinc/88/77/90/718887790.db2.gz PCZGRHOPVACLDN-QVKFZJNVSA-N 1 0 429.594 0.813 20 0 ICADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001164426284 718915403 /nfs/dbraw/zinc/91/54/03/718915403.db2.gz ZESZGXAGLRUABM-AWEZNQCLSA-N 1 0 426.873 0.513 20 0 ICADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001164426285 718915065 /nfs/dbraw/zinc/91/50/65/718915065.db2.gz ZESZGXAGLRUABM-CQSZACIVSA-N 1 0 426.873 0.513 20 0 ICADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccnc(N3CCN(C)CC3)n1)C2 ZINC001164431699 718970821 /nfs/dbraw/zinc/97/08/21/718970821.db2.gz ALYGQUTYZFHBHZ-MSOLQXFVSA-N 1 0 428.459 0.750 20 0 ICADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccnc(N3CCN(C)CC3)n1)C2 ZINC001164431700 718970770 /nfs/dbraw/zinc/97/07/70/718970770.db2.gz ALYGQUTYZFHBHZ-QZTJIDSGSA-N 1 0 428.459 0.750 20 0 ICADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccnc(N3CCN(C)CC3)n1)C2 ZINC001164431702 718971026 /nfs/dbraw/zinc/97/10/26/718971026.db2.gz ALYGQUTYZFHBHZ-ROUUACIJSA-N 1 0 428.459 0.750 20 0 ICADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccnc(N3CCN(C)CC3)n1)C2 ZINC001164431704 718970567 /nfs/dbraw/zinc/97/05/67/718970567.db2.gz ALYGQUTYZFHBHZ-ZWKOTPCHSA-N 1 0 428.459 0.750 20 0 ICADRO CN1CCN(Cc2cc3nc(N4C[C@@H]5[C@@H]([NH3+])[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164439901 718985577 /nfs/dbraw/zinc/98/55/77/718985577.db2.gz HBZFLSRYAMAPNS-VQFNDLOPSA-N 1 0 429.594 0.669 20 0 ICADRO COC(=O)[C@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1 ZINC001164630624 719134468 /nfs/dbraw/zinc/13/44/68/719134468.db2.gz KHIWAIIVNWIWAR-CRAIPNDOSA-N 1 0 433.553 0.832 20 0 ICADRO COC(=O)[C@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1 ZINC001164630625 719134005 /nfs/dbraw/zinc/13/40/05/719134005.db2.gz KHIWAIIVNWIWAR-MAUKXSAKSA-N 1 0 433.553 0.832 20 0 ICADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1 ZINC001164630626 719134253 /nfs/dbraw/zinc/13/42/53/719134253.db2.gz KHIWAIIVNWIWAR-QAPCUYQASA-N 1 0 433.553 0.832 20 0 ICADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1 ZINC001164630627 719134806 /nfs/dbraw/zinc/13/48/06/719134806.db2.gz KHIWAIIVNWIWAR-YJBOKZPZSA-N 1 0 433.553 0.832 20 0 ICADRO COC(=O)[C@H]1C[NH2+]CCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632073 719135077 /nfs/dbraw/zinc/13/50/77/719135077.db2.gz ONJVNFGPLXLZHS-AUUYWEPGSA-N 1 0 440.907 0.968 20 0 ICADRO COC(=O)[C@@H]1C[NH2+]CCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632074 719135143 /nfs/dbraw/zinc/13/51/43/719135143.db2.gz ONJVNFGPLXLZHS-IFXJQAMLSA-N 1 0 440.907 0.968 20 0 ICADRO COC(=O)[C@H]1C[NH2+]CCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632075 719135473 /nfs/dbraw/zinc/13/54/73/719135473.db2.gz ONJVNFGPLXLZHS-KUHUBIRLSA-N 1 0 440.907 0.968 20 0 ICADRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632076 719135699 /nfs/dbraw/zinc/13/56/99/719135699.db2.gz ONJVNFGPLXLZHS-LIRRHRJNSA-N 1 0 440.907 0.968 20 0 ICADRO COC(=O)[C@H]1C[NH2+]CCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633778 719135021 /nfs/dbraw/zinc/13/50/21/719135021.db2.gz SSTLFYBAENVDFN-ACJLOTCBSA-N 1 0 426.880 0.944 20 0 ICADRO COC(=O)[C@H]1C[NH2+]CCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633785 719135067 /nfs/dbraw/zinc/13/50/67/719135067.db2.gz SSTLFYBAENVDFN-FZKQIMNGSA-N 1 0 426.880 0.944 20 0 ICADRO COC(=O)[C@@H]1C[NH2+]CCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633788 719135124 /nfs/dbraw/zinc/13/51/24/719135124.db2.gz SSTLFYBAENVDFN-SCLBCKFNSA-N 1 0 426.880 0.944 20 0 ICADRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633792 719135379 /nfs/dbraw/zinc/13/53/79/719135379.db2.gz SSTLFYBAENVDFN-UGSOOPFHSA-N 1 0 426.880 0.944 20 0 ICADRO CCc1cc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)nc(N2CCOCC2)[nH+]1 ZINC001164638209 719277648 /nfs/dbraw/zinc/27/76/48/719277648.db2.gz DPZBKDYRRYSVGL-UHFFFAOYSA-N 1 0 432.569 0.635 20 0 ICADRO COCCN1CCN(C)C2(CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164644704 719283339 /nfs/dbraw/zinc/28/33/39/719283339.db2.gz QZRBYVPKTUDUSD-UHFFFAOYSA-N 1 0 432.569 0.614 20 0 ICADRO CC(C)n1nc(CN(C)C)c2c1CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164649685 719306864 /nfs/dbraw/zinc/30/68/64/719306864.db2.gz VXXDJSHTUZHXNG-UHFFFAOYSA-N 1 0 447.609 0.970 20 0 ICADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@H]2CCCO[C@@H]21 ZINC001164650280 719318627 /nfs/dbraw/zinc/31/86/27/719318627.db2.gz CXTIIOZTSIJELV-BLIXFSHQSA-N 1 0 441.536 0.939 20 0 ICADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@@H]2CCCO[C@H]12 ZINC001164650312 719318733 /nfs/dbraw/zinc/31/87/33/719318733.db2.gz CXTIIOZTSIJELV-CDXJDZJCSA-N 1 0 441.536 0.939 20 0 ICADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@H]2CCCO[C@H]21 ZINC001164650315 719318707 /nfs/dbraw/zinc/31/87/07/719318707.db2.gz CXTIIOZTSIJELV-HGHGUNKESA-N 1 0 441.536 0.939 20 0 ICADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@@H]2CCCO[C@@H]12 ZINC001164650318 719318727 /nfs/dbraw/zinc/31/87/27/719318727.db2.gz CXTIIOZTSIJELV-YRISNDGFSA-N 1 0 441.536 0.939 20 0 ICADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CN1 ZINC001164666114 719394045 /nfs/dbraw/zinc/39/40/45/719394045.db2.gz JGDXMSKWRDQSOH-FZDIXFNVSA-N 1 0 443.504 0.440 20 0 ICADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CN1 ZINC001164666117 719393909 /nfs/dbraw/zinc/39/39/09/719393909.db2.gz JGDXMSKWRDQSOH-QZHFEQFPSA-N 1 0 443.504 0.440 20 0 ICADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CN1 ZINC001164666119 719394014 /nfs/dbraw/zinc/39/40/14/719394014.db2.gz JGDXMSKWRDQSOH-UDTPNQRGSA-N 1 0 443.504 0.440 20 0 ICADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CN1 ZINC001164666120 719394363 /nfs/dbraw/zinc/39/43/63/719394363.db2.gz JGDXMSKWRDQSOH-WQANXHIZSA-N 1 0 443.504 0.440 20 0 ICADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679729 719644955 /nfs/dbraw/zinc/64/49/55/719644955.db2.gz KRRNKRQNOMINCF-UHFFFAOYSA-N 1 0 446.577 0.624 20 0 ICADRO CC(C)N(C)Cc1nn(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)c2c1CC[NH2+]C2 ZINC001164680195 719639130 /nfs/dbraw/zinc/63/91/30/719639130.db2.gz SARDVJZDQAGOKF-UHFFFAOYSA-N 1 0 434.566 0.774 20 0 ICADRO CC(C)N(C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164681582 719632522 /nfs/dbraw/zinc/63/25/22/719632522.db2.gz IMENGIPNAMUCNO-UHFFFAOYSA-N 1 0 434.566 0.774 20 0 ICADRO CC(C)N(C)Cc1nn(-c2nc3c(ncn3C)c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164682487 719614733 /nfs/dbraw/zinc/61/47/33/719614733.db2.gz DNFQAMBZSDOXHT-UHFFFAOYSA-N 1 0 425.541 0.872 20 0 ICADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164683737 719732215 /nfs/dbraw/zinc/73/22/15/719732215.db2.gz FCCZGESIQPYDFV-UHFFFAOYSA-N 1 0 446.552 0.671 20 0 ICADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164684530 719731798 /nfs/dbraw/zinc/73/17/98/719731798.db2.gz HVVCKIMEFLCIKA-UHFFFAOYSA-N 1 0 437.566 0.283 20 0 ICADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)CC2 ZINC001164685237 719710831 /nfs/dbraw/zinc/71/08/31/719710831.db2.gz SRNFWMNYWZZUQF-UHFFFAOYSA-N 1 0 428.541 0.381 20 0 ICADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164686482 719688017 /nfs/dbraw/zinc/68/80/17/719688017.db2.gz NPHYFXFPCLNYTJ-KRWDZBQOSA-N 1 0 440.552 0.753 20 0 ICADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164686483 719688478 /nfs/dbraw/zinc/68/84/78/719688478.db2.gz NPHYFXFPCLNYTJ-QGZVFWFLSA-N 1 0 440.552 0.753 20 0 ICADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(OC)nc(N3CCn4ccnc4C3)n1)CC2 ZINC001164689633 719751108 /nfs/dbraw/zinc/75/11/08/719751108.db2.gz JOQZWKZLWWGXHE-UHFFFAOYSA-N 1 0 441.540 0.278 20 0 ICADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164689902 719740662 /nfs/dbraw/zinc/74/06/62/719740662.db2.gz OFYWBTOPCPYPJB-UHFFFAOYSA-N 1 0 437.566 0.283 20 0 ICADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164690108 719747280 /nfs/dbraw/zinc/74/72/80/719747280.db2.gz STEURPUQKGFBSR-UHFFFAOYSA-N 1 0 449.577 0.133 20 0 ICADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164702264 719939349 /nfs/dbraw/zinc/93/93/49/719939349.db2.gz DLEMJUXVYFMFOR-UHFFFAOYSA-N 1 0 430.944 0.460 20 0 ICADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164708374 719914952 /nfs/dbraw/zinc/91/49/52/719914952.db2.gz BKRMOFIFUICLCF-UHFFFAOYSA-N 1 0 438.580 0.517 20 0 ICADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164708391 719915694 /nfs/dbraw/zinc/91/56/94/719915694.db2.gz CBQRHZBKHOSBGZ-UHFFFAOYSA-N 1 0 439.568 0.088 20 0 ICADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164708785 719916951 /nfs/dbraw/zinc/91/69/51/719916951.db2.gz QGXXYFFSMODTSG-UHFFFAOYSA-N 1 0 425.537 0.602 20 0 ICADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164709096 719924128 /nfs/dbraw/zinc/92/41/28/719924128.db2.gz XUYNCMCZPRNSKN-UHFFFAOYSA-N 1 0 440.552 0.291 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC(=O)N3CCCC3)nn2)CC1 ZINC001164712858 720080634 /nfs/dbraw/zinc/08/06/34/720080634.db2.gz RRPSDVFLRCYNMN-FGSXEWAUSA-N 1 0 430.553 0.604 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@H]43)nn2)CC1 ZINC001164712859 720080156 /nfs/dbraw/zinc/08/01/56/720080156.db2.gz RRPSDVFLRCYNMN-HMFYCAOWSA-N 1 0 430.553 0.604 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@@H](OCC(=O)N5CCCC5)CC[C@@H]43)nn2)CC1 ZINC001164712860 720080667 /nfs/dbraw/zinc/08/06/67/720080667.db2.gz RRPSDVFLRCYNMN-SPEDKVCISA-N 1 0 430.553 0.604 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@@H]43)nn2)CC1 ZINC001164712861 720080184 /nfs/dbraw/zinc/08/01/84/720080184.db2.gz RRPSDVFLRCYNMN-SVMVAKDDSA-N 1 0 430.553 0.604 20 0 ICADRO Cn1nnc2c1CCN(c1cc(N3CCOCC3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712996 720170279 /nfs/dbraw/zinc/17/02/79/720170279.db2.gz JEEGKDVGSJSTPW-GOSISDBHSA-N 1 0 428.541 0.658 20 0 ICADRO Cn1nnc2c1CCN(c1cc(N3CCOCC3)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712998 720169843 /nfs/dbraw/zinc/16/98/43/720169843.db2.gz JEEGKDVGSJSTPW-SFHVURJKSA-N 1 0 428.541 0.658 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H](NC(=O)c4cnccn4)[C@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164713158 720050478 /nfs/dbraw/zinc/05/04/78/720050478.db2.gz MWKYBQZQHCMSJR-CDXJDZJCSA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cnccn4)C3)nn2)CC1 ZINC001164713159 720050207 /nfs/dbraw/zinc/05/02/07/720050207.db2.gz MWKYBQZQHCMSJR-DJPFJPOOSA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cnccn4)C3)nn2)CC1 ZINC001164713160 720050438 /nfs/dbraw/zinc/05/04/38/720050438.db2.gz MWKYBQZQHCMSJR-MDKPJZGXSA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H](NC(=O)c4cnccn4)[C@@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164713161 720051185 /nfs/dbraw/zinc/05/11/85/720051185.db2.gz MWKYBQZQHCMSJR-YRISNDGFSA-N 1 0 438.536 0.432 20 0 ICADRO Cn1nnc2c1CCN(c1ccc(C(=O)NC3CC3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713455 720200272 /nfs/dbraw/zinc/20/02/72/720200272.db2.gz CJFBNJCVNQCDBL-GOSISDBHSA-N 1 0 426.525 0.714 20 0 ICADRO Cn1nnc2c1CCN(c1ccc(C(=O)NC3CC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713457 720201005 /nfs/dbraw/zinc/20/10/05/720201005.db2.gz CJFBNJCVNQCDBL-SFHVURJKSA-N 1 0 426.525 0.714 20 0 ICADRO CNS(=O)(=O)c1cccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715273 720189328 /nfs/dbraw/zinc/18/93/28/720189328.db2.gz KODRUGPHXHBZPC-INIZCTEOSA-N 1 0 435.554 0.334 20 0 ICADRO CNS(=O)(=O)c1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715275 720189668 /nfs/dbraw/zinc/18/96/68/720189668.db2.gz KODRUGPHXHBZPC-MRXNPFEDSA-N 1 0 435.554 0.334 20 0 ICADRO CCNS(=O)(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715714 720197070 /nfs/dbraw/zinc/19/70/70/720197070.db2.gz MRSCUMDJOCJVJQ-GOSISDBHSA-N 1 0 449.581 0.725 20 0 ICADRO CCNS(=O)(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715716 720197331 /nfs/dbraw/zinc/19/73/31/720197331.db2.gz MRSCUMDJOCJVJQ-SFHVURJKSA-N 1 0 449.581 0.725 20 0 ICADRO Cn1nnc2c1CCN(c1ccnc(-n3ccccc3=O)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715749 720198818 /nfs/dbraw/zinc/19/88/18/720198818.db2.gz NCYOHRNZZRXXKJ-GOSISDBHSA-N 1 0 436.520 0.972 20 0 ICADRO Cn1nnc2c1CCN(c1ccnc(-n3ccccc3=O)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715752 720198956 /nfs/dbraw/zinc/19/89/56/720198956.db2.gz NCYOHRNZZRXXKJ-SFHVURJKSA-N 1 0 436.520 0.972 20 0 ICADRO Cn1nnc2c1CCN(c1ccnc(N3CCOCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715884 720188134 /nfs/dbraw/zinc/18/81/34/720188134.db2.gz CWRIBCYPHUYKFD-GOSISDBHSA-N 1 0 428.541 0.658 20 0 ICADRO Cn1nnc2c1CCN(c1ccnc(N3CCOCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715885 720189788 /nfs/dbraw/zinc/18/97/88/720189788.db2.gz CWRIBCYPHUYKFD-SFHVURJKSA-N 1 0 428.541 0.658 20 0 ICADRO CN(C)S(=O)(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715994 720196352 /nfs/dbraw/zinc/19/63/52/720196352.db2.gz NVKDUSMKKYDIBC-GOSISDBHSA-N 1 0 449.581 0.677 20 0 ICADRO CN(C)S(=O)(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715995 720195898 /nfs/dbraw/zinc/19/58/98/720195898.db2.gz NVKDUSMKKYDIBC-SFHVURJKSA-N 1 0 449.581 0.677 20 0 ICADRO Cn1nnc2c1CCN(c1ccnc(N3CCN(C)CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715998 720200196 /nfs/dbraw/zinc/20/01/96/720200196.db2.gz NWTBUOQJTKLLBJ-IBGZPJMESA-N 1 0 441.584 0.573 20 0 ICADRO Cn1nnc2c1CCN(c1ccnc(N3CCN(C)CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715999 720200708 /nfs/dbraw/zinc/20/07/08/720200708.db2.gz NWTBUOQJTKLLBJ-LJQANCHMSA-N 1 0 441.584 0.573 20 0 ICADRO Cn1nnc2c1CCN(c1ncc3c(n1)N(C)CC(=O)N3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717082 720187318 /nfs/dbraw/zinc/18/73/18/720187318.db2.gz KKHXYPAJVPJRRD-INIZCTEOSA-N 1 0 427.513 0.210 20 0 ICADRO Cn1nnc2c1CCN(c1ncc3c(n1)N(C)CC(=O)N3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717086 720187345 /nfs/dbraw/zinc/18/73/45/720187345.db2.gz KKHXYPAJVPJRRD-MRXNPFEDSA-N 1 0 427.513 0.210 20 0 ICADRO CNS(=O)(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164717617 720195927 /nfs/dbraw/zinc/19/59/27/720195927.db2.gz VGNOVYJHXZDSLC-KRWDZBQOSA-N 1 0 435.554 0.334 20 0 ICADRO CNS(=O)(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164717619 720196164 /nfs/dbraw/zinc/19/61/64/720196164.db2.gz VGNOVYJHXZDSLC-QGZVFWFLSA-N 1 0 435.554 0.334 20 0 ICADRO Cn1nnc2c1CCN(c1ncc(S(N)(=O)=O)cc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164717866 720205963 /nfs/dbraw/zinc/20/59/63/720205963.db2.gz JWOODXPNXFBNIH-INIZCTEOSA-N 1 0 439.517 0.213 20 0 ICADRO Cn1nnc2c1CCN(c1ncc(S(N)(=O)=O)cc1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717867 720206448 /nfs/dbraw/zinc/20/64/48/720206448.db2.gz JWOODXPNXFBNIH-MRXNPFEDSA-N 1 0 439.517 0.213 20 0 ICADRO CCOC(=O)Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718289 720185508 /nfs/dbraw/zinc/18/55/08/720185508.db2.gz OFWLMRFLXDBKAV-GOSISDBHSA-N 1 0 429.525 0.927 20 0 ICADRO CCOC(=O)Cc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718293 720185970 /nfs/dbraw/zinc/18/59/70/720185970.db2.gz OFWLMRFLXDBKAV-SFHVURJKSA-N 1 0 429.525 0.927 20 0 ICADRO CCNS(=O)(=O)c1cccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718802 720188160 /nfs/dbraw/zinc/18/81/60/720188160.db2.gz RSIQGTCNFBCRHU-KRWDZBQOSA-N 1 0 449.581 0.725 20 0 ICADRO CCNS(=O)(=O)c1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718803 720188566 /nfs/dbraw/zinc/18/85/66/720188566.db2.gz RSIQGTCNFBCRHU-QGZVFWFLSA-N 1 0 449.581 0.725 20 0 ICADRO C[C@@H]1C(=O)Nc2cnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2N1C ZINC001164719618 720183555 /nfs/dbraw/zinc/18/35/55/720183555.db2.gz WWAPQXJWFUGBAS-PBHICJAKSA-N 1 0 441.540 0.598 20 0 ICADRO C[C@@H]1C(=O)Nc2cnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2N1C ZINC001164719619 720184077 /nfs/dbraw/zinc/18/40/77/720184077.db2.gz WWAPQXJWFUGBAS-RHSMWYFYSA-N 1 0 441.540 0.598 20 0 ICADRO C[C@H]1C(=O)Nc2cnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2N1C ZINC001164719620 720183573 /nfs/dbraw/zinc/18/35/73/720183573.db2.gz WWAPQXJWFUGBAS-WMLDXEAASA-N 1 0 441.540 0.598 20 0 ICADRO C[C@H]1C(=O)Nc2cnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2N1C ZINC001164719621 720184109 /nfs/dbraw/zinc/18/41/09/720184109.db2.gz WWAPQXJWFUGBAS-YOEHRIQHSA-N 1 0 441.540 0.598 20 0 ICADRO CNC(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164719795 720205981 /nfs/dbraw/zinc/20/59/81/720205981.db2.gz UJRMSWMRVDITTM-HNNXBMFYSA-N 1 0 434.932 0.834 20 0 ICADRO CNC(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164719797 720206085 /nfs/dbraw/zinc/20/60/85/720206085.db2.gz UJRMSWMRVDITTM-OAHLLOKOSA-N 1 0 434.932 0.834 20 0 ICADRO COC(=O)c1ncnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1OC ZINC001164720132 720207442 /nfs/dbraw/zinc/20/74/42/720207442.db2.gz WIHWDOJQQSQKHA-HNNXBMFYSA-N 1 0 431.497 0.617 20 0 ICADRO COC(=O)c1ncnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1OC ZINC001164720134 720207023 /nfs/dbraw/zinc/20/70/23/720207023.db2.gz WIHWDOJQQSQKHA-OAHLLOKOSA-N 1 0 431.497 0.617 20 0 ICADRO Cn1nnc2c1CCN(c1ncnc3c1NC(=O)CS3)[C@H]2COCC[NH+]1CCCC1 ZINC001164720140 720206013 /nfs/dbraw/zinc/20/60/13/720206013.db2.gz WIYPGUMGROJXMQ-AWEZNQCLSA-N 1 0 430.538 0.866 20 0 ICADRO Cn1nnc2c1CCN(c1ncnc3c1NC(=O)CS3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720141 720205914 /nfs/dbraw/zinc/20/59/14/720205914.db2.gz WIYPGUMGROJXMQ-CQSZACIVSA-N 1 0 430.538 0.866 20 0 ICADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164720956 720301571 /nfs/dbraw/zinc/30/15/71/720301571.db2.gz GANQCCCOSPIRQK-JOCHJYFZSA-N 1 0 432.569 0.520 20 0 ICADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164720957 720300434 /nfs/dbraw/zinc/30/04/34/720300434.db2.gz GANQCCCOSPIRQK-QFIPXVFZSA-N 1 0 432.569 0.520 20 0 ICADRO CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724405 720330337 /nfs/dbraw/zinc/33/03/37/720330337.db2.gz JVZVLEATPGVMQI-MOPGFXCFSA-N 1 0 428.562 0.817 20 0 ICADRO CS(=O)(=O)c1nc2c(c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724407 720330478 /nfs/dbraw/zinc/33/04/78/720330478.db2.gz JVZVLEATPGVMQI-OALUTQOASA-N 1 0 428.562 0.817 20 0 ICADRO CS(=O)(=O)c1nc2c(c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724409 720330711 /nfs/dbraw/zinc/33/07/11/720330711.db2.gz JVZVLEATPGVMQI-RBUKOAKNSA-N 1 0 428.562 0.817 20 0 ICADRO CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n1)CC[NH2+]CC2 ZINC001164724411 720329976 /nfs/dbraw/zinc/32/99/76/720329976.db2.gz JVZVLEATPGVMQI-RTBURBONSA-N 1 0 428.562 0.817 20 0 ICADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)C1 ZINC001164727919 720508677 /nfs/dbraw/zinc/50/86/77/720508677.db2.gz FBSWJZPWLBAGQD-GOSISDBHSA-N 1 0 442.568 0.544 20 0 ICADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)C1 ZINC001164727922 720508536 /nfs/dbraw/zinc/50/85/36/720508536.db2.gz FBSWJZPWLBAGQD-SFHVURJKSA-N 1 0 442.568 0.544 20 0 ICADRO O=S(=O)(c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1)N1CCOCC1 ZINC001164729672 720574076 /nfs/dbraw/zinc/57/40/76/720574076.db2.gz SNHXUOBICHCLIK-UHFFFAOYSA-N 1 0 446.577 0.958 20 0 ICADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1 ZINC001164732910 720528966 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1 0 443.548 0.738 20 0 ICADRO COC(=O)c1cc2cnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc2n1C ZINC001164873508 721284445 /nfs/dbraw/zinc/28/44/45/721284445.db2.gz NFFCCXYNINSKBA-UHFFFAOYSA-N 1 0 444.536 0.762 20 0 ICADRO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874476 721280576 /nfs/dbraw/zinc/28/05/76/721280576.db2.gz SDVOEWCXUXDISN-UHFFFAOYSA-N 1 0 436.553 0.872 20 0 ICADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc2N1C ZINC001164875317 721274321 /nfs/dbraw/zinc/27/43/21/721274321.db2.gz VGGKVGYKMNDZLG-HNNXBMFYSA-N 1 0 431.541 0.260 20 0 ICADRO C[C@@H]1C(=O)Nc2cnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc2N1C ZINC001164875321 721274623 /nfs/dbraw/zinc/27/46/23/721274623.db2.gz VGGKVGYKMNDZLG-OAHLLOKOSA-N 1 0 431.541 0.260 20 0 ICADRO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001164875385 721285711 /nfs/dbraw/zinc/28/57/11/721285711.db2.gz VYWYDCZZJHGSMV-UHFFFAOYSA-N 1 0 439.582 0.387 20 0 ICADRO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164875634 721274228 /nfs/dbraw/zinc/27/42/28/721274228.db2.gz YFXRHQJHQVDMGP-UHFFFAOYSA-N 1 0 425.917 0.924 20 0 ICADRO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164876622 721288336 /nfs/dbraw/zinc/28/83/36/721288336.db2.gz KFFTZVGASHZXNR-UHFFFAOYSA-N 1 0 425.917 0.924 20 0 ICADRO COCCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164876644 721291539 /nfs/dbraw/zinc/29/15/39/721291539.db2.gz KSPRYCCQSBDFTD-UHFFFAOYSA-N 1 0 434.537 0.892 20 0 ICADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(CN4CCOCC4)cn3)CC2)C1 ZINC001164876775 721264551 /nfs/dbraw/zinc/26/45/51/721264551.db2.gz PMYBPUWGJCWDGL-UHFFFAOYSA-N 1 0 431.581 0.921 20 0 ICADRO COC(=O)CSc1cncc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164877151 721288713 /nfs/dbraw/zinc/28/87/13/721288713.db2.gz LONKQOZOSGFEFC-UHFFFAOYSA-N 1 0 437.566 0.749 20 0 ICADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccnc(N4CCN(C)CC4)n3)CC2)C1 ZINC001164877770 721289869 /nfs/dbraw/zinc/28/98/69/721289869.db2.gz OOJQASCGQNZJME-UHFFFAOYSA-N 1 0 431.585 0.235 20 0 ICADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccnc(-n4ccccc4=O)n3)CC2)C1 ZINC001164877880 721287502 /nfs/dbraw/zinc/28/75/02/721287502.db2.gz PMUVVCBLQPKBEW-UHFFFAOYSA-N 1 0 426.521 0.635 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)nn2)CC1 ZINC001164877953 721333731 /nfs/dbraw/zinc/33/37/31/721333731.db2.gz XYJXOQJUHHPTOQ-AVRDEDQJSA-N 1 0 430.553 0.320 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)nn2)CC1 ZINC001164877956 721333695 /nfs/dbraw/zinc/33/36/95/721333695.db2.gz XYJXOQJUHHPTOQ-GCJKJVERSA-N 1 0 430.553 0.320 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)nn2)CC1 ZINC001164877959 721333726 /nfs/dbraw/zinc/33/37/26/721333726.db2.gz XYJXOQJUHHPTOQ-PGRDOPGGSA-N 1 0 430.553 0.320 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)nn2)CC1 ZINC001164877962 721333763 /nfs/dbraw/zinc/33/37/63/721333763.db2.gz XYJXOQJUHHPTOQ-XMSQKQJNSA-N 1 0 430.553 0.320 20 0 ICADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1 ZINC001164878807 721263717 /nfs/dbraw/zinc/26/37/17/721263717.db2.gz VNOAUMXSLHXNFG-UHFFFAOYSA-N 1 0 445.564 0.561 20 0 ICADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)ccc3S(N)(=O)=O)CC2)C1 ZINC001164879145 721289918 /nfs/dbraw/zinc/28/99/18/721289918.db2.gz VPPXGKXDQPPETJ-UHFFFAOYSA-N 1 0 445.973 0.389 20 0 ICADRO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164879682 721294481 /nfs/dbraw/zinc/29/44/81/721294481.db2.gz ZHCOBVHJSZOVAT-UHFFFAOYSA-N 1 0 438.960 0.887 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](CNC(=O)c5ccnnc5)CC[C@@H]43)nn2)CC1 ZINC001164880053 721320420 /nfs/dbraw/zinc/32/04/20/721320420.db2.gz VSNOJYKFRLRHNO-DJPFJPOOSA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@H]43)nn2)CC1 ZINC001164880055 721320139 /nfs/dbraw/zinc/32/01/39/721320139.db2.gz VSNOJYKFRLRHNO-HGHGUNKESA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@@H]43)nn2)CC1 ZINC001164880056 721320325 /nfs/dbraw/zinc/32/03/25/721320325.db2.gz VSNOJYKFRLRHNO-PLMTUMEDSA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@H]4[C@H]3CC[C@H]4CNC(=O)c3ccnnc3)nn2)CC1 ZINC001164880058 721320270 /nfs/dbraw/zinc/32/02/70/721320270.db2.gz VSNOJYKFRLRHNO-YRISNDGFSA-N 1 0 438.536 0.432 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4OCC[C@@H]4[C@@H](C(=O)NCc4cccnc4)C3)nn2)CC1 ZINC001164881383 721300626 /nfs/dbraw/zinc/30/06/26/721300626.db2.gz VUOLUHKJZDVTGY-AABGKKOBSA-N 1 0 437.548 0.781 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4OCC[C@@H]4[C@H](C(=O)NCc4cccnc4)C3)nn2)CC1 ZINC001164881385 721300869 /nfs/dbraw/zinc/30/08/69/721300869.db2.gz VUOLUHKJZDVTGY-AQNXPRMDSA-N 1 0 437.548 0.781 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4OCC[C@H]4[C@@H](C(=O)NCc4cccnc4)C3)nn2)CC1 ZINC001164881387 721300535 /nfs/dbraw/zinc/30/05/35/721300535.db2.gz VUOLUHKJZDVTGY-UFYCRDLUSA-N 1 0 437.548 0.781 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4OCC[C@H]4[C@H](C(=O)NCc4cccnc4)C3)nn2)CC1 ZINC001164881389 721300637 /nfs/dbraw/zinc/30/06/37/721300637.db2.gz VUOLUHKJZDVTGY-ZCNNSNEGSA-N 1 0 437.548 0.781 20 0 ICADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164882115 721336518 /nfs/dbraw/zinc/33/65/18/721336518.db2.gz CMHIDYDVIBLVSA-AUSIDOKSSA-N 1 0 429.565 0.925 20 0 ICADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164882116 721336576 /nfs/dbraw/zinc/33/65/76/721336576.db2.gz CMHIDYDVIBLVSA-CVDCTZTESA-N 1 0 429.565 0.925 20 0 ICADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164882117 721336839 /nfs/dbraw/zinc/33/68/39/721336839.db2.gz CMHIDYDVIBLVSA-WMZHIEFXSA-N 1 0 429.565 0.925 20 0 ICADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164882118 721336547 /nfs/dbraw/zinc/33/65/47/721336547.db2.gz CMHIDYDVIBLVSA-XXBNENTESA-N 1 0 429.565 0.925 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)nn2)CC1 ZINC001164882123 721306307 /nfs/dbraw/zinc/30/63/07/721306307.db2.gz ZKZSZMHZCGQXFS-HDICACEKSA-N 1 0 428.562 0.985 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@H]4C3)nn2)CC1 ZINC001164882124 721306299 /nfs/dbraw/zinc/30/62/99/721306299.db2.gz ZKZSZMHZCGQXFS-QZTJIDSGSA-N 1 0 428.562 0.985 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)nn2)CC1 ZINC001164882125 721306767 /nfs/dbraw/zinc/30/67/67/721306767.db2.gz ZKZSZMHZCGQXFS-ROUUACIJSA-N 1 0 428.562 0.985 20 0 ICADRO COc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889851 721412730 /nfs/dbraw/zinc/41/27/30/721412730.db2.gz RRKVMYMFXSMDAG-JXFKEZNVSA-N 1 0 439.582 0.654 20 0 ICADRO COc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889855 721412379 /nfs/dbraw/zinc/41/23/79/721412379.db2.gz RRKVMYMFXSMDAG-OXJNMPFZSA-N 1 0 439.582 0.654 20 0 ICADRO COc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889858 721412568 /nfs/dbraw/zinc/41/25/68/721412568.db2.gz RRKVMYMFXSMDAG-OXQOHEQNSA-N 1 0 439.582 0.654 20 0 ICADRO COc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889861 721412759 /nfs/dbraw/zinc/41/27/59/721412759.db2.gz RRKVMYMFXSMDAG-UZLBHIALSA-N 1 0 439.582 0.654 20 0 ICADRO c1cncc(CN2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164912502 721773286 /nfs/dbraw/zinc/77/32/86/721773286.db2.gz MZLVEKYACWMKKD-JOCHJYFZSA-N 1 0 425.537 0.389 20 0 ICADRO c1cncc(CN2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164912503 721773706 /nfs/dbraw/zinc/77/37/06/721773706.db2.gz MZLVEKYACWMKKD-QFIPXVFZSA-N 1 0 425.537 0.389 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)nn2)CC1 ZINC001164912681 721770368 /nfs/dbraw/zinc/77/03/68/721770368.db2.gz OHMANMUUAILQFI-HSZRJFAPSA-N 1 0 439.564 0.731 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nn2)CC1 ZINC001164912686 721770267 /nfs/dbraw/zinc/77/02/67/721770267.db2.gz OHMANMUUAILQFI-QHCPKHFHSA-N 1 0 439.564 0.731 20 0 ICADRO Cc1cnc2n1CCN(C)C21CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001164917520 721812095 /nfs/dbraw/zinc/81/20/95/721812095.db2.gz MPWKRQRUAUOGSM-UHFFFAOYSA-N 1 0 445.593 0.514 20 0 ICADRO [NH3+]C1CCN(c2ccnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164917571 721789339 /nfs/dbraw/zinc/78/93/39/721789339.db2.gz YFAZPVVYIWDEFK-HSZRJFAPSA-N 1 0 439.564 0.907 20 0 ICADRO [NH3+]C1CCN(c2ccnc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164917576 721789388 /nfs/dbraw/zinc/78/93/88/721789388.db2.gz YFAZPVVYIWDEFK-QHCPKHFHSA-N 1 0 439.564 0.907 20 0 ICADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cncc(N5CC[NH2+]CC5)n4)CCO3)C2)cs1 ZINC001164925310 721828691 /nfs/dbraw/zinc/82/86/91/721828691.db2.gz ZHTQHLGRTWAHJN-NRFANRHFSA-N 1 0 445.593 0.759 20 0 ICADRO Cc1nc(CN2CCOC[C@]3(CN(c4cncc(N5CC[NH2+]CC5)n4)CCO3)C2)cs1 ZINC001164925338 721828659 /nfs/dbraw/zinc/82/86/59/721828659.db2.gz ZHTQHLGRTWAHJN-OAQYLSRUSA-N 1 0 445.593 0.759 20 0 ICADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)cs1 ZINC001164925447 721824735 /nfs/dbraw/zinc/82/47/35/721824735.db2.gz PQIPQAWPBLVPCV-NRFANRHFSA-N 1 0 445.593 0.759 20 0 ICADRO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)nn4)CCO3)C2)cs1 ZINC001164925448 721824851 /nfs/dbraw/zinc/82/48/51/721824851.db2.gz PQIPQAWPBLVPCV-OAQYLSRUSA-N 1 0 445.593 0.759 20 0 ICADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2nc(N4CCOCC4)nc(N4CCOCC4)n2)C3)co1 ZINC001164928814 721899923 /nfs/dbraw/zinc/89/99/23/721899923.db2.gz QAONPOVMTNSDRN-MOPGFXCFSA-N 1 0 441.536 0.849 20 0 ICADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)n1 ZINC001164931072 721902633 /nfs/dbraw/zinc/90/26/33/721902633.db2.gz RRSGMOBXQYEORB-UHFFFAOYSA-N 1 0 426.569 0.833 20 0 ICADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932186 721853385 /nfs/dbraw/zinc/85/33/85/721853385.db2.gz XAGKOJLGGPTVCX-MOPGFXCFSA-N 1 0 431.585 0.364 20 0 ICADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932187 721853220 /nfs/dbraw/zinc/85/32/20/721853220.db2.gz XAGKOJLGGPTVCX-OALUTQOASA-N 1 0 431.585 0.364 20 0 ICADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932188 721853484 /nfs/dbraw/zinc/85/34/84/721853484.db2.gz XAGKOJLGGPTVCX-RBUKOAKNSA-N 1 0 431.585 0.364 20 0 ICADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932189 721853323 /nfs/dbraw/zinc/85/33/23/721853323.db2.gz XAGKOJLGGPTVCX-RTBURBONSA-N 1 0 431.585 0.364 20 0 ICADRO Cn1ccc(CN2CCOCC23CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)n1 ZINC001164936623 721906647 /nfs/dbraw/zinc/90/66/47/721906647.db2.gz SEYHOONMWBOCKK-UHFFFAOYSA-N 1 0 439.564 0.732 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CC[C@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)nn2)CC1 ZINC001164939483 721916360 /nfs/dbraw/zinc/91/63/60/721916360.db2.gz UGPKYZVVPUHZPJ-AVRDEDQJSA-N 1 0 430.553 0.605 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)nn2)CC1 ZINC001164939486 721916414 /nfs/dbraw/zinc/91/64/14/721916414.db2.gz UGPKYZVVPUHZPJ-GCJKJVERSA-N 1 0 430.553 0.605 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)nn2)CC1 ZINC001164939490 721916375 /nfs/dbraw/zinc/91/63/75/721916375.db2.gz UGPKYZVVPUHZPJ-PGRDOPGGSA-N 1 0 430.553 0.605 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)nn2)CC1 ZINC001164939493 721916328 /nfs/dbraw/zinc/91/63/28/721916328.db2.gz UGPKYZVVPUHZPJ-XMSQKQJNSA-N 1 0 430.553 0.605 20 0 ICADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001164940162 721950704 /nfs/dbraw/zinc/95/07/04/721950704.db2.gz ANKKDABBOGUVFA-PMACEKPBSA-N 1 0 426.521 0.821 20 0 ICADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001164940170 721950770 /nfs/dbraw/zinc/95/07/70/721950770.db2.gz ANKKDABBOGUVFA-UXHICEINSA-N 1 0 426.521 0.821 20 0 ICADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001164940173 721950741 /nfs/dbraw/zinc/95/07/41/721950741.db2.gz ANKKDABBOGUVFA-VQTJNVASSA-N 1 0 426.521 0.821 20 0 ICADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001164940177 721950762 /nfs/dbraw/zinc/95/07/62/721950762.db2.gz ANKKDABBOGUVFA-WOJBJXKFSA-N 1 0 426.521 0.821 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@H]43)nn2)CC1 ZINC001164951888 721999184 /nfs/dbraw/zinc/99/91/84/721999184.db2.gz ORIYOCGQVZPPFV-GMBSWORKSA-N 1 0 429.550 0.851 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164951889 721999125 /nfs/dbraw/zinc/99/91/25/721999125.db2.gz ORIYOCGQVZPPFV-QOKNQOGYSA-N 1 0 429.550 0.851 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164951890 721999106 /nfs/dbraw/zinc/99/91/06/721999106.db2.gz ORIYOCGQVZPPFV-URLQWDBASA-N 1 0 429.550 0.851 20 0 ICADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@H]43)nn2)CC1 ZINC001164951891 721999212 /nfs/dbraw/zinc/99/92/12/721999212.db2.gz ORIYOCGQVZPPFV-ZSZQSSIHSA-N 1 0 429.550 0.851 20 0 ICADRO Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@H]32)cn1 ZINC001164956419 722030572 /nfs/dbraw/zinc/03/05/72/722030572.db2.gz GKGLROMLJZNLBJ-GUDVDZBRSA-N 1 0 440.552 0.233 20 0 ICADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@H]32)cn1 ZINC001164956420 722030647 /nfs/dbraw/zinc/03/06/47/722030647.db2.gz GKGLROMLJZNLBJ-IPMKNSEASA-N 1 0 440.552 0.233 20 0 ICADRO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@@H]23)cn1 ZINC001164956421 722030578 /nfs/dbraw/zinc/03/05/78/722030578.db2.gz GKGLROMLJZNLBJ-OTWHNJEPSA-N 1 0 440.552 0.233 20 0 ICADRO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@H]32)cn1 ZINC001164956422 722030505 /nfs/dbraw/zinc/03/05/05/722030505.db2.gz GKGLROMLJZNLBJ-QRVBRYPASA-N 1 0 440.552 0.233 20 0 ICADRO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@H]32)cn1 ZINC001164963145 722031627 /nfs/dbraw/zinc/03/16/27/722031627.db2.gz ZWQAJJYDDXIZLI-AQNXPRMDSA-N 1 0 439.564 0.838 20 0 ICADRO Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@H]32)cn1 ZINC001164963149 722031511 /nfs/dbraw/zinc/03/15/11/722031511.db2.gz ZWQAJJYDDXIZLI-VAMGGRTRSA-N 1 0 439.564 0.838 20 0 ICADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@H]32)cn1 ZINC001164963154 722031539 /nfs/dbraw/zinc/03/15/39/722031539.db2.gz ZWQAJJYDDXIZLI-XUVXKRRUSA-N 1 0 439.564 0.838 20 0 ICADRO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@@H]23)cn1 ZINC001164963161 722031578 /nfs/dbraw/zinc/03/15/78/722031578.db2.gz ZWQAJJYDDXIZLI-ZCNNSNEGSA-N 1 0 439.564 0.838 20 0 ICADRO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164964675 722068927 /nfs/dbraw/zinc/06/89/27/722068927.db2.gz ANYNSJORVVMZGZ-KDURUIRLSA-N 1 0 430.553 0.449 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)nn2)CC1 ZINC001164965449 722044727 /nfs/dbraw/zinc/04/47/27/722044727.db2.gz YSNSPBGQWYKCHV-GOSISDBHSA-N 1 0 430.553 0.463 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)nn2)CC1 ZINC001164965450 722044746 /nfs/dbraw/zinc/04/47/46/722044746.db2.gz YSNSPBGQWYKCHV-SFHVURJKSA-N 1 0 430.553 0.463 20 0 ICADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164970158 722087688 /nfs/dbraw/zinc/08/76/88/722087688.db2.gz CTRIQAXZJDFKKF-HKUYNNGSSA-N 1 0 435.594 0.994 20 0 ICADRO CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@H]2S1(=O)=O ZINC001164970160 722087697 /nfs/dbraw/zinc/08/76/97/722087697.db2.gz CTRIQAXZJDFKKF-IEBWSBKVSA-N 1 0 435.594 0.994 20 0 ICADRO CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164970162 722087642 /nfs/dbraw/zinc/08/76/42/722087642.db2.gz CTRIQAXZJDFKKF-MJGOQNOKSA-N 1 0 435.594 0.994 20 0 ICADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@H]2S1(=O)=O ZINC001164970164 722087683 /nfs/dbraw/zinc/08/76/83/722087683.db2.gz CTRIQAXZJDFKKF-PKOBYXMFSA-N 1 0 435.594 0.994 20 0 ICADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]2S1(=O)=O ZINC001164970359 722087626 /nfs/dbraw/zinc/08/76/26/722087626.db2.gz DHCALMWXWWTUND-HKUYNNGSSA-N 1 0 435.594 0.996 20 0 ICADRO CN(C)C(=O)CN1C[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@H]2S1(=O)=O ZINC001164970361 722087621 /nfs/dbraw/zinc/08/76/21/722087621.db2.gz DHCALMWXWWTUND-IEBWSBKVSA-N 1 0 435.594 0.996 20 0 ICADRO CN(C)C(=O)CN1C[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]2S1(=O)=O ZINC001164970363 722087722 /nfs/dbraw/zinc/08/77/22/722087722.db2.gz DHCALMWXWWTUND-MJGOQNOKSA-N 1 0 435.594 0.996 20 0 ICADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@H]2S1(=O)=O ZINC001164970365 722087668 /nfs/dbraw/zinc/08/76/68/722087668.db2.gz DHCALMWXWWTUND-PKOBYXMFSA-N 1 0 435.594 0.996 20 0 ICADRO CC(C)C(=O)N1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@]2(CCCC(=O)N2)C1 ZINC001164971036 722088070 /nfs/dbraw/zinc/08/80/70/722088070.db2.gz HSLUWRPAGWPEDC-JOCHJYFZSA-N 1 0 429.569 0.572 20 0 ICADRO CC(C)C(=O)N1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164971038 722088035 /nfs/dbraw/zinc/08/80/35/722088035.db2.gz HSLUWRPAGWPEDC-QFIPXVFZSA-N 1 0 429.569 0.572 20 0 ICADRO CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164972520 722087481 /nfs/dbraw/zinc/08/74/81/722087481.db2.gz LPROFCVVEYHTKI-MOPGFXCFSA-N 1 0 435.594 0.996 20 0 ICADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164972527 722087471 /nfs/dbraw/zinc/08/74/71/722087471.db2.gz LPROFCVVEYHTKI-OALUTQOASA-N 1 0 435.594 0.996 20 0 ICADRO CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]2S1(=O)=O ZINC001164972532 722087546 /nfs/dbraw/zinc/08/75/46/722087546.db2.gz LPROFCVVEYHTKI-RBUKOAKNSA-N 1 0 435.594 0.996 20 0 ICADRO CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]2S1(=O)=O ZINC001164972536 722087534 /nfs/dbraw/zinc/08/75/34/722087534.db2.gz LPROFCVVEYHTKI-RTBURBONSA-N 1 0 435.594 0.996 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164979526 722092257 /nfs/dbraw/zinc/09/22/57/722092257.db2.gz KYOYKBAJQMQDQJ-BXWFABGCSA-N 1 0 426.525 0.128 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164979527 722092279 /nfs/dbraw/zinc/09/22/79/722092279.db2.gz KYOYKBAJQMQDQJ-FCEWJHQRSA-N 1 0 426.525 0.128 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164979528 722092223 /nfs/dbraw/zinc/09/22/23/722092223.db2.gz KYOYKBAJQMQDQJ-FRQCXROJSA-N 1 0 426.525 0.128 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164979529 722092274 /nfs/dbraw/zinc/09/22/74/722092274.db2.gz KYOYKBAJQMQDQJ-TXPKVOOTSA-N 1 0 426.525 0.128 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164980198 722093237 /nfs/dbraw/zinc/09/32/37/722093237.db2.gz LRWFRMPLLJIWMI-ABSDTBQOSA-N 1 0 425.537 0.733 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164980200 722093107 /nfs/dbraw/zinc/09/31/07/722093107.db2.gz LRWFRMPLLJIWMI-QKLQHJQFSA-N 1 0 425.537 0.733 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164980202 722093229 /nfs/dbraw/zinc/09/32/29/722093229.db2.gz LRWFRMPLLJIWMI-SQGPQFPESA-N 1 0 425.537 0.733 20 0 ICADRO Cn1ccnc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164980204 722093153 /nfs/dbraw/zinc/09/31/53/722093153.db2.gz LRWFRMPLLJIWMI-ZWOKBUDYSA-N 1 0 425.537 0.733 20 0 ICADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164990748 722188439 /nfs/dbraw/zinc/18/84/39/722188439.db2.gz NOLCBBDPSGIIHF-UHFFFAOYSA-N 1 0 425.537 0.084 20 0 ICADRO CN1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)CC1 ZINC001164996633 722235566 /nfs/dbraw/zinc/23/55/66/722235566.db2.gz HKZNSBATCIDBHA-UHFFFAOYSA-N 1 0 436.564 0.274 20 0 ICADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(N3CCOCC3)nc3c1CCN3)CCC2 ZINC001165000253 722252221 /nfs/dbraw/zinc/25/22/21/722252221.db2.gz MYUSIBVADDJGSQ-UHFFFAOYSA-N 1 0 442.568 0.966 20 0 ICADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(c(N4CCOCC4)n1)CNC3)CCC2 ZINC001165001882 722256070 /nfs/dbraw/zinc/25/60/70/722256070.db2.gz IBLVXHSUVFIZDG-UHFFFAOYSA-N 1 0 442.568 0.601 20 0 ICADRO C[NH+]1CCN(c2cccc(N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)n2)CC1 ZINC001165002063 722246704 /nfs/dbraw/zinc/24/67/04/722246704.db2.gz BOTDNHRCVZVANQ-JOCHJYFZSA-N 1 0 425.537 0.736 20 0 ICADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)n2)CC1 ZINC001165002064 722246655 /nfs/dbraw/zinc/24/66/55/722246655.db2.gz BOTDNHRCVZVANQ-QFIPXVFZSA-N 1 0 425.537 0.736 20 0 ICADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001165003116 722261898 /nfs/dbraw/zinc/26/18/98/722261898.db2.gz CBZYTWNJNSBYPM-JOCHJYFZSA-N 1 0 425.512 0.953 20 0 ICADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001165003118 722261751 /nfs/dbraw/zinc/26/17/51/722261751.db2.gz CBZYTWNJNSBYPM-QFIPXVFZSA-N 1 0 425.512 0.953 20 0 ICADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C1 ZINC001165003340 722242458 /nfs/dbraw/zinc/24/24/58/722242458.db2.gz KBNJGDFSCMOMAN-HKUYNNGSSA-N 1 0 425.537 0.544 20 0 ICADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C1 ZINC001165003341 722242376 /nfs/dbraw/zinc/24/23/76/722242376.db2.gz KBNJGDFSCMOMAN-IEBWSBKVSA-N 1 0 425.537 0.544 20 0 ICADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C1 ZINC001165003342 722242415 /nfs/dbraw/zinc/24/24/15/722242415.db2.gz KBNJGDFSCMOMAN-MJGOQNOKSA-N 1 0 425.537 0.544 20 0 ICADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C1 ZINC001165003343 722242527 /nfs/dbraw/zinc/24/25/27/722242527.db2.gz KBNJGDFSCMOMAN-PKOBYXMFSA-N 1 0 425.537 0.544 20 0 ICADRO C[NH+]1CCN(c2ccc(N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)nn2)CC1 ZINC001165004381 722240649 /nfs/dbraw/zinc/24/06/49/722240649.db2.gz OCZKNOJOJDBFIH-KRWDZBQOSA-N 1 0 448.535 0.281 20 0 ICADRO C[NH+]1CCN(c2ccc(N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)nn2)CC1 ZINC001165004390 722240712 /nfs/dbraw/zinc/24/07/12/722240712.db2.gz OCZKNOJOJDBFIH-QGZVFWFLSA-N 1 0 448.535 0.281 20 0 ICADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CCC2 ZINC001165004438 722257479 /nfs/dbraw/zinc/25/74/79/722257479.db2.gz RXISFRJUZGHZNY-KRWDZBQOSA-N 1 0 428.541 0.616 20 0 ICADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CCC2 ZINC001165004448 722257464 /nfs/dbraw/zinc/25/74/64/722257464.db2.gz RXISFRJUZGHZNY-QGZVFWFLSA-N 1 0 428.541 0.616 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)nn2)CC1 ZINC001165005092 722245987 /nfs/dbraw/zinc/24/59/87/722245987.db2.gz RGLKJITYOALKST-NRFANRHFSA-N 1 0 426.525 0.131 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)nn2)CC1 ZINC001165005093 722246188 /nfs/dbraw/zinc/24/61/88/722246188.db2.gz RGLKJITYOALKST-OAQYLSRUSA-N 1 0 426.525 0.131 20 0 ICADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001165006151 722265064 /nfs/dbraw/zinc/26/50/64/722265064.db2.gz HGKBTERQQKYUFL-JOCHJYFZSA-N 1 0 425.512 0.953 20 0 ICADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001165006152 722265097 /nfs/dbraw/zinc/26/50/97/722265097.db2.gz HGKBTERQQKYUFL-QFIPXVFZSA-N 1 0 425.512 0.953 20 0 ICADRO C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)n2)CC1 ZINC001165006346 722241279 /nfs/dbraw/zinc/24/12/79/722241279.db2.gz YEHMZHGNXZLBQW-GOSISDBHSA-N 1 0 447.547 0.886 20 0 ICADRO C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)n2)CC1 ZINC001165006351 722241399 /nfs/dbraw/zinc/24/13/99/722241399.db2.gz YEHMZHGNXZLBQW-SFHVURJKSA-N 1 0 447.547 0.886 20 0 ICADRO CC(C)N(C)Cc1nnc2n1CCCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001165009674 721694516 /nfs/dbraw/zinc/69/45/16/721694516.db2.gz QWDAAKFNOFRGGA-UHFFFAOYSA-N 1 0 448.597 0.410 20 0 ICADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)CC1 ZINC001165010150 721738679 /nfs/dbraw/zinc/73/86/79/721738679.db2.gz CORDTFNFZFSKBX-INIZCTEOSA-N 1 0 427.553 0.945 20 0 ICADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(n2)N2CCC[C@@H]2C(=O)N3C)CC1 ZINC001165010151 721738369 /nfs/dbraw/zinc/73/83/69/721738369.db2.gz CORDTFNFZFSKBX-MRXNPFEDSA-N 1 0 427.553 0.945 20 0 ICADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010355 721747304 /nfs/dbraw/zinc/74/73/04/721747304.db2.gz LXJQHWFXDAXPLG-UHFFFAOYSA-N 1 0 439.538 0.039 20 0 ICADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(c(N4CCOCC4)n2)CNC3)CC1 ZINC001165011007 721743369 /nfs/dbraw/zinc/74/33/69/721743369.db2.gz SGUFZTRFVFTZRV-UHFFFAOYSA-N 1 0 429.569 0.439 20 0 ICADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(N3CCOCC3)nc3c2CCN3)CC1 ZINC001165011196 721735049 /nfs/dbraw/zinc/73/50/49/721735049.db2.gz PGLHLMKIBGLHHP-UHFFFAOYSA-N 1 0 429.569 0.804 20 0 ICADRO CN(C)C(=O)COCc1nnc2n1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165011492 721723704 /nfs/dbraw/zinc/72/37/04/721723704.db2.gz QTIUOVOAQLTFBA-UHFFFAOYSA-N 1 0 429.525 0.773 20 0 ICADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(ncn3C)c(N3CCOCC3)n2)CC1 ZINC001165011619 721734123 /nfs/dbraw/zinc/73/41/23/721734123.db2.gz STLAUFLDEZKSTA-UHFFFAOYSA-N 1 0 442.568 0.723 20 0 ICADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)NC3CCOCC3)nn2)CC1 ZINC001165012413 721746451 /nfs/dbraw/zinc/74/64/51/721746451.db2.gz HIWRFSBGKXCPBB-UHFFFAOYSA-N 1 0 430.553 0.908 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013022 721756772 /nfs/dbraw/zinc/75/67/72/721756772.db2.gz IQQLFQVRKZTQFX-BBTUJRGHSA-N 1 0 425.537 0.733 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165013023 721756945 /nfs/dbraw/zinc/75/69/45/721756945.db2.gz IQQLFQVRKZTQFX-UEXGIBASSA-N 1 0 425.537 0.733 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165013024 721756963 /nfs/dbraw/zinc/75/69/63/721756963.db2.gz IQQLFQVRKZTQFX-WAOWUJCRSA-N 1 0 425.537 0.733 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013025 721756736 /nfs/dbraw/zinc/75/67/36/721756736.db2.gz IQQLFQVRKZTQFX-WFXMLNOXSA-N 1 0 425.537 0.733 20 0 ICADRO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cc(C[NH+](C)C)ccn1)CCC2 ZINC001165013041 721751262 /nfs/dbraw/zinc/75/12/62/721751262.db2.gz IXOGIANZHWAMTQ-UHFFFAOYSA-N 1 0 436.520 0.774 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013198 721755140 /nfs/dbraw/zinc/75/51/40/721755140.db2.gz KETSBGQGDBJFAT-ABSDTBQOSA-N 1 0 426.525 0.128 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165013199 721755325 /nfs/dbraw/zinc/75/53/25/721755325.db2.gz KETSBGQGDBJFAT-QKLQHJQFSA-N 1 0 426.525 0.128 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165013200 721755391 /nfs/dbraw/zinc/75/53/91/721755391.db2.gz KETSBGQGDBJFAT-SQGPQFPESA-N 1 0 426.525 0.128 20 0 ICADRO Cn1cc(C(=O)N[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013201 721755221 /nfs/dbraw/zinc/75/52/21/721755221.db2.gz KETSBGQGDBJFAT-ZWOKBUDYSA-N 1 0 426.525 0.128 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)CN(C(=O)c3cnccn3)CCO4)nn2)CC1 ZINC001165013899 721759134 /nfs/dbraw/zinc/75/91/34/721759134.db2.gz UOVJGZRSCIMORV-UHFFFAOYSA-N 1 0 438.536 0.530 20 0 ICADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001165014078 721766223 /nfs/dbraw/zinc/76/62/23/721766223.db2.gz COOMQQXDYTXLRH-UHFFFAOYSA-N 1 0 449.563 0.756 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)nn2)CC1 ZINC001165018165 721774285 /nfs/dbraw/zinc/77/42/85/721774285.db2.gz UCUHGCPZCAYLHG-AVRDEDQJSA-N 1 0 430.553 0.463 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)nn2)CC1 ZINC001165018166 721774437 /nfs/dbraw/zinc/77/44/37/721774437.db2.gz UCUHGCPZCAYLHG-GCJKJVERSA-N 1 0 430.553 0.463 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)nn2)CC1 ZINC001165018167 721774527 /nfs/dbraw/zinc/77/45/27/721774527.db2.gz UCUHGCPZCAYLHG-PGRDOPGGSA-N 1 0 430.553 0.463 20 0 ICADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)nn2)CC1 ZINC001165018168 721774709 /nfs/dbraw/zinc/77/47/09/721774709.db2.gz UCUHGCPZCAYLHG-XMSQKQJNSA-N 1 0 430.553 0.463 20 0 ICADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]32)cc1 ZINC001165019130 721794349 /nfs/dbraw/zinc/79/43/49/721794349.db2.gz JSNFOFNCAMZIJS-PMACEKPBSA-N 1 0 438.532 0.853 20 0 ICADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]32)cc1 ZINC001165019137 721794410 /nfs/dbraw/zinc/79/44/10/721794410.db2.gz JSNFOFNCAMZIJS-UXHICEINSA-N 1 0 438.532 0.853 20 0 ICADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]32)cc1 ZINC001165019140 721794403 /nfs/dbraw/zinc/79/44/03/721794403.db2.gz JSNFOFNCAMZIJS-VQTJNVASSA-N 1 0 438.532 0.853 20 0 ICADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]32)cc1 ZINC001165019143 721794461 /nfs/dbraw/zinc/79/44/61/721794461.db2.gz JSNFOFNCAMZIJS-WOJBJXKFSA-N 1 0 438.532 0.853 20 0 ICADRO COc1cc(OC)nc(CN2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)n1 ZINC001165030508 721848958 /nfs/dbraw/zinc/84/89/58/721848958.db2.gz RKXWANBGNPCGCR-UHFFFAOYSA-N 1 0 427.509 0.256 20 0 ICADRO COc1cc(OC)nc(CN2CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)n1 ZINC001165030723 721851284 /nfs/dbraw/zinc/85/12/84/721851284.db2.gz UGPRQFPAZPXPEO-UHFFFAOYSA-N 1 0 429.525 0.984 20 0 ICADRO CS(=O)(=O)c1nc2c(c(N3CCN(CCOc4ccccc4)CC3)n1)CC[NH2+]CC2 ZINC001165042351 721952186 /nfs/dbraw/zinc/95/21/86/721952186.db2.gz KWPIWDJLWFMWIU-UHFFFAOYSA-N 1 0 431.562 0.769 20 0 ICADRO COC(=O)c1cnc(N(C)CC2CC[NH+](C)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001165043149 721938154 /nfs/dbraw/zinc/93/81/54/721938154.db2.gz OMDJUINNIFFAQZ-UHFFFAOYSA-N 1 0 426.539 0.667 20 0 ICADRO COC(=O)c1cnc(N2CCC(C[NH+](C)C)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001165044513 721949607 /nfs/dbraw/zinc/94/96/07/721949607.db2.gz CTDSCVGUKDINBF-UHFFFAOYSA-N 1 0 426.539 0.667 20 0 ICADRO c1ccc(CC[NH+]2CCN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)nc1 ZINC001165053234 722009721 /nfs/dbraw/zinc/00/97/21/722009721.db2.gz CCHLHPHSFVUBKJ-UHFFFAOYSA-N 1 0 439.564 0.910 20 0 ICADRO O=C(c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC001165054844 722018951 /nfs/dbraw/zinc/01/89/51/722018951.db2.gz FTSWZNHRJKHBAN-UHFFFAOYSA-N 1 0 429.546 0.712 20 0 ICADRO Cn1c2[nH]c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)nc2c(=O)n(C)c1=O ZINC001460867774 1126192873 /nfs/dbraw/zinc/19/28/73/1126192873.db2.gz JLDJLJYZMMCTAO-GOSISDBHSA-N 1 0 436.310 0.806 20 0 ICADRO Cn1c2[nH]c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)nc2c(=O)n(C)c1=O ZINC001460867775 1126192817 /nfs/dbraw/zinc/19/28/17/1126192817.db2.gz 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CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC001467577883 1069015958 /nfs/dbraw/zinc/01/59/58/1069015958.db2.gz HSKOFRRUJCPJSK-IRXDYDNUSA-N 1 0 429.587 0.636 20 0 ICADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC001467577885 1069015727 /nfs/dbraw/zinc/01/57/27/1069015727.db2.gz HSKOFRRUJCPJSK-SJORKVTESA-N 1 0 429.587 0.636 20 0 ICADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001467578152 1069015827 /nfs/dbraw/zinc/01/58/27/1069015827.db2.gz LSVWWDCLVZDMLS-LLVKDONJSA-N 1 0 429.319 0.102 20 0 ICADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001467578155 1069015867 /nfs/dbraw/zinc/01/58/67/1069015867.db2.gz LSVWWDCLVZDMLS-NSHDSACASA-N 1 0 429.319 0.102 20 0 ICADRO COc1ccc([C@H](CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)[NH+](C)C)cc1OC ZINC001467582006 1069015699 /nfs/dbraw/zinc/01/56/99/1069015699.db2.gz GLKCTOWZYXERNM-CVEARBPZSA-N 1 0 444.554 0.266 20 0 ICADRO 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CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001467601792 1069016792 /nfs/dbraw/zinc/01/67/92/1069016792.db2.gz WFBNRMQCLSWDRU-JOCHJYFZSA-N 1 0 434.537 0.834 20 0 ICADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001467601793 1069017992 /nfs/dbraw/zinc/01/79/92/1069017992.db2.gz WFBNRMQCLSWDRU-QFIPXVFZSA-N 1 0 434.537 0.834 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001467602936 1069017457 /nfs/dbraw/zinc/01/74/57/1069017457.db2.gz FEDNWTKPQOTBOV-HSZRJFAPSA-N 1 0 445.564 0.251 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001467602937 1069017875 /nfs/dbraw/zinc/01/78/75/1069017875.db2.gz FEDNWTKPQOTBOV-QHCPKHFHSA-N 1 0 445.564 0.251 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001467603120 1069018012 /nfs/dbraw/zinc/01/80/12/1069018012.db2.gz HMIPRCYQQVIWJX-UHFFFAOYSA-N 1 0 438.536 0.565 20 0 ICADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@]4(CC(C(=O)OC)=NO4)C3)cn2)CC1 ZINC001467603212 1069017717 /nfs/dbraw/zinc/01/77/17/1069017717.db2.gz HAVHZUFLUHSFSN-NRFANRHFSA-N 1 0 430.509 0.827 20 0 ICADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@]4(CC(C(=O)OC)=NO4)C3)cn2)CC1 ZINC001467603213 1069017308 /nfs/dbraw/zinc/01/73/08/1069017308.db2.gz HAVHZUFLUHSFSN-OAQYLSRUSA-N 1 0 430.509 0.827 20 0 ICADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)cn2)CC1 ZINC001467603596 1069017512 /nfs/dbraw/zinc/01/75/12/1069017512.db2.gz JWIMMHDJLLLMCG-UHFFFAOYSA-N 1 0 427.509 0.791 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)cc2)CC1 ZINC001467604678 1069017546 /nfs/dbraw/zinc/01/75/46/1069017546.db2.gz VMRJBOMZBNXUCQ-FQEVSTJZSA-N 1 0 437.610 0.905 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)cc2)CC1 ZINC001467604679 1069017741 /nfs/dbraw/zinc/01/77/41/1069017741.db2.gz VMRJBOMZBNXUCQ-HXUWFJFHSA-N 1 0 437.610 0.905 20 0 ICADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001467604843 1069017814 /nfs/dbraw/zinc/01/78/14/1069017814.db2.gz YZMKXKSTYFCSAD-IBGZPJMESA-N 1 0 425.599 0.951 20 0 ICADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001467604844 1069017932 /nfs/dbraw/zinc/01/79/32/1069017932.db2.gz YZMKXKSTYFCSAD-LJQANCHMSA-N 1 0 425.599 0.951 20 0 ICADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1(CO)COC(C)(C)OC1 ZINC001467628366 1069018372 /nfs/dbraw/zinc/01/83/72/1069018372.db2.gz FGEDZFVVNITKDV-UHFFFAOYSA-N 1 0 443.566 0.469 20 0 ICADRO CN1CCN(C(=O)CCNC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC001467630582 1069019114 /nfs/dbraw/zinc/01/91/14/1069019114.db2.gz NJYVIKOMGAJGFN-UHFFFAOYSA-N 1 0 444.580 0.347 20 0 ICADRO C[NH+]1CCN(C2CN(C(=O)CCNS(=O)(=O)c3cccc(Br)c3)C2)CC1 ZINC001467630602 1069019194 /nfs/dbraw/zinc/01/91/94/1069019194.db2.gz CSEGHSHWJZQBNI-UHFFFAOYSA-N 1 0 445.383 0.576 20 0 ICADRO CNC(=O)CN1CCC(NC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001467646545 1069020757 /nfs/dbraw/zinc/02/07/57/1069020757.db2.gz JLIKKEQSVHKRMR-UHFFFAOYSA-N 1 0 431.581 0.913 20 0 ICADRO C[N@@H+]1C[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)C[C@]2(C)C1 ZINC001467647001 1069021409 /nfs/dbraw/zinc/02/14/09/1069021409.db2.gz OJPOHPVIBJAKTQ-XLIONFOSSA-N 1 0 436.582 0.127 20 0 ICADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCc3nnc4c(=O)n(C)ccn34)CC2)c1 ZINC001467648245 1069022256 /nfs/dbraw/zinc/02/22/56/1069022256.db2.gz QYHVJOCJHFXSHA-UHFFFAOYSA-N 1 0 438.536 0.748 20 0 ICADRO Cc1cccc(N2CC[NH+](CCCNC(=O)NCCNS(=O)(=O)N(C)C)CC2)c1 ZINC001467649090 1069022145 /nfs/dbraw/zinc/02/21/45/1069022145.db2.gz XZFMYTZOASHKDQ-UHFFFAOYSA-N 1 0 426.587 0.202 20 0 ICADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)Cc1ccccc1 ZINC001467673679 1069023551 /nfs/dbraw/zinc/02/35/51/1069023551.db2.gz RODIZRMHNPAHDF-MOPGFXCFSA-N 1 0 426.583 0.899 20 0 ICADRO CC[NH+](CC)[C@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)Cc1ccccc1 ZINC001467673680 1069024455 /nfs/dbraw/zinc/02/44/55/1069024455.db2.gz RODIZRMHNPAHDF-OALUTQOASA-N 1 0 426.583 0.899 20 0 ICADRO CC[NH+](CC)[C@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)Cc1ccccc1 ZINC001467673681 1069024286 /nfs/dbraw/zinc/02/42/86/1069024286.db2.gz RODIZRMHNPAHDF-RBUKOAKNSA-N 1 0 426.583 0.899 20 0 ICADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)Cc1ccccc1 ZINC001467673682 1069024416 /nfs/dbraw/zinc/02/44/16/1069024416.db2.gz RODIZRMHNPAHDF-RTBURBONSA-N 1 0 426.583 0.899 20 0 ICADRO COCCNS(=O)(=O)c1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)ccc1OC ZINC001467677295 1069024476 /nfs/dbraw/zinc/02/44/76/1069024476.db2.gz DWXLNOPKUKPWCR-UHFFFAOYSA-N 1 0 427.523 0.669 20 0 ICADRO CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC001467709930 1069026033 /nfs/dbraw/zinc/02/60/33/1069026033.db2.gz ZPXJFKZYZCKXDM-INIZCTEOSA-N 1 0 434.356 0.886 20 0 ICADRO CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC001467709933 1069026072 /nfs/dbraw/zinc/02/60/72/1069026072.db2.gz ZPXJFKZYZCKXDM-MRXNPFEDSA-N 1 0 434.356 0.886 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC001467710655 1069026307 /nfs/dbraw/zinc/02/63/07/1069026307.db2.gz CDJKBWSZKPVATP-JOCXBXNISA-N 1 0 428.533 0.705 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC001467710656 1069026159 /nfs/dbraw/zinc/02/61/59/1069026159.db2.gz CDJKBWSZKPVATP-MODFLEDVSA-N 1 0 428.533 0.705 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC001467710657 1069026005 /nfs/dbraw/zinc/02/60/05/1069026005.db2.gz CDJKBWSZKPVATP-SKMKXQCXSA-N 1 0 428.533 0.705 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC001467710658 1069026257 /nfs/dbraw/zinc/02/62/57/1069026257.db2.gz CDJKBWSZKPVATP-XYRGPISMSA-N 1 0 428.533 0.705 20 0 ICADRO COCCN1C(=O)c2ccc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)cc2S1(=O)=O ZINC001467710834 1069026221 /nfs/dbraw/zinc/02/62/21/1069026221.db2.gz FJTRUVZYPFKIMK-IBGZPJMESA-N 1 0 425.507 0.006 20 0 ICADRO COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cc2S1(=O)=O ZINC001467710835 1069026122 /nfs/dbraw/zinc/02/61/22/1069026122.db2.gz FJTRUVZYPFKIMK-LJQANCHMSA-N 1 0 425.507 0.006 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC001467711564 1069026286 /nfs/dbraw/zinc/02/62/86/1069026286.db2.gz QVSIZEVMFAMRFX-GOSISDBHSA-N 1 0 431.580 0.422 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC001467711565 1069026055 /nfs/dbraw/zinc/02/60/55/1069026055.db2.gz QVSIZEVMFAMRFX-SFHVURJKSA-N 1 0 431.580 0.422 20 0 ICADRO CNC(=O)NC[C@H]1COCCN1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001467723986 1069027037 /nfs/dbraw/zinc/02/70/37/1069027037.db2.gz FCUHPHKXYIAGSF-FQEVSTJZSA-N 1 0 432.569 0.534 20 0 ICADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001467723988 1069026885 /nfs/dbraw/zinc/02/68/85/1069026885.db2.gz FCUHPHKXYIAGSF-HXUWFJFHSA-N 1 0 432.569 0.534 20 0 ICADRO COC(OC)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001467724572 1069026614 /nfs/dbraw/zinc/02/66/14/1069026614.db2.gz LDVBHLBHDSWRCH-FQEVSTJZSA-N 1 0 447.580 0.838 20 0 ICADRO COC(OC)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001467724573 1069027766 /nfs/dbraw/zinc/02/77/66/1069027766.db2.gz LDVBHLBHDSWRCH-HXUWFJFHSA-N 1 0 447.580 0.838 20 0 ICADRO COC(OC)C(=O)N1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001467725097 1069027710 /nfs/dbraw/zinc/02/77/10/1069027710.db2.gz NXCVCQWZBCGKQL-UHFFFAOYSA-N 1 0 447.580 0.667 20 0 ICADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCCS(=O)(=O)N1CCCC1 ZINC001467725553 1069027365 /nfs/dbraw/zinc/02/73/65/1069027365.db2.gz SHXRHZQHLLDNSS-UHFFFAOYSA-N 1 0 437.610 0.919 20 0 ICADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001467725670 1069027882 /nfs/dbraw/zinc/02/78/82/1069027882.db2.gz SUNTYSYDNDYGEF-GOSISDBHSA-N 1 0 438.536 0.938 20 0 ICADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001467725673 1069027989 /nfs/dbraw/zinc/02/79/89/1069027989.db2.gz SUNTYSYDNDYGEF-SFHVURJKSA-N 1 0 438.536 0.938 20 0 ICADRO CNC(=O)NC[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001467725696 1069027555 /nfs/dbraw/zinc/02/75/55/1069027555.db2.gz TXKOHGIAJKSLFR-FQEVSTJZSA-N 1 0 432.569 0.534 20 0 ICADRO CNC(=O)NC[C@@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001467725697 1069028080 /nfs/dbraw/zinc/02/80/80/1069028080.db2.gz TXKOHGIAJKSLFR-HXUWFJFHSA-N 1 0 432.569 0.534 20 0 ICADRO CNS(=O)(=O)c1cccc(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC001467726038 1069027459 /nfs/dbraw/zinc/02/74/59/1069027459.db2.gz VHFATOYFSQVUBN-UHFFFAOYSA-N 1 0 437.566 0.610 20 0 ICADRO CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC001467732747 1069028433 /nfs/dbraw/zinc/02/84/33/1069028433.db2.gz DSYVYFQUXKUCJT-UHFFFAOYSA-N 1 0 427.571 0.524 20 0 ICADRO O=C(NCCCC[NH+]1CCOCC1)NCCNC(=O)c1ccc(Br)cn1 ZINC001467740278 1069028795 /nfs/dbraw/zinc/02/87/95/1069028795.db2.gz MVLJWZVXVAQHIV-UHFFFAOYSA-N 1 0 428.331 0.986 20 0 ICADRO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCCCC[NH+]3CCOCC3)CC2=O)C1 ZINC001467740783 1069028665 /nfs/dbraw/zinc/02/86/65/1069028665.db2.gz VYPYNGZJRCDJLH-INIZCTEOSA-N 1 0 439.557 0.618 20 0 ICADRO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCCCC[NH+]3CCOCC3)CC2=O)C1 ZINC001467740784 1069028576 /nfs/dbraw/zinc/02/85/76/1069028576.db2.gz VYPYNGZJRCDJLH-MRXNPFEDSA-N 1 0 439.557 0.618 20 0 ICADRO CCN1CC[NH+](CCCCNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC001467742135 1069028535 /nfs/dbraw/zinc/02/85/35/1069028535.db2.gz HRJQQZLPLLTQGI-UHFFFAOYSA-N 1 0 430.553 0.955 20 0 ICADRO CN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+](C)CC1 ZINC001467756436 1069029212 /nfs/dbraw/zinc/02/92/12/1069029212.db2.gz NXDIIHPSFSIEEE-UHFFFAOYSA-N 1 0 439.582 0.096 20 0 ICADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC001467756703 1069029053 /nfs/dbraw/zinc/02/90/53/1069029053.db2.gz POCDNMRWOHDTNR-GOSISDBHSA-N 1 0 440.566 0.354 20 0 ICADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001467756705 1069029318 /nfs/dbraw/zinc/02/93/18/1069029318.db2.gz POCDNMRWOHDTNR-SFHVURJKSA-N 1 0 440.566 0.354 20 0 ICADRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC001467768521 1069030552 /nfs/dbraw/zinc/03/05/52/1069030552.db2.gz YGVIGQSCTCOVAQ-DFQSSKMNSA-N 1 0 436.578 0.988 20 0 ICADRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC001467768523 1069030265 /nfs/dbraw/zinc/03/02/65/1069030265.db2.gz YGVIGQSCTCOVAQ-IHPCNDPISA-N 1 0 436.578 0.988 20 0 ICADRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC001467768525 1069030450 /nfs/dbraw/zinc/03/04/50/1069030450.db2.gz YGVIGQSCTCOVAQ-SXLOBPIMSA-N 1 0 436.578 0.988 20 0 ICADRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC001467768526 1069030694 /nfs/dbraw/zinc/03/06/94/1069030694.db2.gz YGVIGQSCTCOVAQ-YSIASYRMSA-N 1 0 436.578 0.988 20 0 ICADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001467795973 1069031001 /nfs/dbraw/zinc/03/10/01/1069031001.db2.gz VCUBKKMTQUTSQG-OIISXLGYSA-N 1 0 442.582 0.899 20 0 ICADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001467795975 1069031240 /nfs/dbraw/zinc/03/12/40/1069031240.db2.gz VCUBKKMTQUTSQG-UAGQMJEPSA-N 1 0 442.582 0.899 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC001467799982 1069030988 /nfs/dbraw/zinc/03/09/88/1069030988.db2.gz IBFOFFLDQVUGQZ-KRWDZBQOSA-N 1 0 443.566 0.914 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC001467799988 1069030969 /nfs/dbraw/zinc/03/09/69/1069030969.db2.gz IBFOFFLDQVUGQZ-QGZVFWFLSA-N 1 0 443.566 0.914 20 0 ICADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001467804870 1069032037 /nfs/dbraw/zinc/03/20/37/1069032037.db2.gz UNXKKKXLFCMMOT-UHFFFAOYSA-N 1 0 425.599 0.952 20 0 ICADRO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001467807463 1069032984 /nfs/dbraw/zinc/03/29/84/1069032984.db2.gz IVOBVBRSPUFDGW-CVEARBPZSA-N 1 0 442.969 0.803 20 0 ICADRO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001467807465 1069032722 /nfs/dbraw/zinc/03/27/22/1069032722.db2.gz IVOBVBRSPUFDGW-HOTGVXAUSA-N 1 0 442.969 0.803 20 0 ICADRO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467807467 1069032889 /nfs/dbraw/zinc/03/28/89/1069032889.db2.gz IVOBVBRSPUFDGW-HZPDHXFCSA-N 1 0 442.969 0.803 20 0 ICADRO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467807469 1069032949 /nfs/dbraw/zinc/03/29/49/1069032949.db2.gz IVOBVBRSPUFDGW-JKSUJKDBSA-N 1 0 442.969 0.803 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001467808806 1069033503 /nfs/dbraw/zinc/03/35/03/1069033503.db2.gz YTYVEWZGNFRIGJ-KBPBESRZSA-N 1 0 432.340 0.395 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001467808807 1069033745 /nfs/dbraw/zinc/03/37/45/1069033745.db2.gz YTYVEWZGNFRIGJ-KGLIPLIRSA-N 1 0 432.340 0.395 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467808808 1069033546 /nfs/dbraw/zinc/03/35/46/1069033546.db2.gz YTYVEWZGNFRIGJ-UONOGXRCSA-N 1 0 432.340 0.395 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001467808809 1069033809 /nfs/dbraw/zinc/03/38/09/1069033809.db2.gz YTYVEWZGNFRIGJ-ZIAGYGMSSA-N 1 0 432.340 0.395 20 0 ICADRO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC001467810505 1069033700 /nfs/dbraw/zinc/03/37/00/1069033700.db2.gz AYMGURYLJAMZSF-CABCVRRESA-N 1 0 429.564 0.114 20 0 ICADRO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC001467810511 1069033642 /nfs/dbraw/zinc/03/36/42/1069033642.db2.gz AYMGURYLJAMZSF-GJZGRUSLSA-N 1 0 429.564 0.114 20 0 ICADRO 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C[NH+](C)CCN1CCC(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001467844087 1069037456 /nfs/dbraw/zinc/03/74/56/1069037456.db2.gz TZMCSIWXSLOMGP-UHFFFAOYSA-N 1 0 436.601 0.158 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001467850777 1069038268 /nfs/dbraw/zinc/03/82/68/1069038268.db2.gz AKNZDBJELWVTMU-UHFFFAOYSA-N 1 0 442.607 0.875 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001467850869 1069038101 /nfs/dbraw/zinc/03/81/01/1069038101.db2.gz BPLFTRNTRGLXEQ-GOSISDBHSA-N 1 0 449.527 0.249 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001467850871 1069038400 /nfs/dbraw/zinc/03/84/00/1069038400.db2.gz BPLFTRNTRGLXEQ-SFHVURJKSA-N 1 0 449.527 0.249 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC001467852858 1069039157 /nfs/dbraw/zinc/03/91/57/1069039157.db2.gz SGZNTWMYSTUHBU-UHFFFAOYSA-N 1 0 428.530 0.553 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC001467853612 1069039200 /nfs/dbraw/zinc/03/92/00/1069039200.db2.gz YNRIBCOYVDIFMA-UHFFFAOYSA-N 1 0 436.534 0.280 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001467853691 1069038965 /nfs/dbraw/zinc/03/89/65/1069038965.db2.gz ZLLZXDRQPHKYDA-UHFFFAOYSA-N 1 0 442.605 0.591 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)CC1 ZINC001467853969 1069039068 /nfs/dbraw/zinc/03/90/68/1069039068.db2.gz IKZWLVFBLUVIEL-UHFFFAOYSA-N 1 0 426.558 0.531 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cc2sc(CS(C)(=O)=O)nc2C)CC1 ZINC001467854411 1069039760 /nfs/dbraw/zinc/03/97/60/1069039760.db2.gz OYFYEAILDIGWTH-UHFFFAOYSA-N 1 0 444.623 0.988 20 0 ICADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cn(CCCNC(=O)OC(C)(C)C)nn3)CC2)C1=O ZINC001467863235 1069040355 /nfs/dbraw/zinc/04/03/55/1069040355.db2.gz IGSZCJDPDAGDNR-KRWDZBQOSA-N 1 0 449.556 0.618 20 0 ICADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cn(CCCNC(=O)OC(C)(C)C)nn3)CC2)C1=O ZINC001467863237 1069040063 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447.561 0.902 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC001469771195 1069249524 /nfs/dbraw/zinc/24/95/24/1069249524.db2.gz FOZNVWCHZULXQG-IBGZPJMESA-N 1 0 438.594 0.920 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1=O ZINC001469771806 1069249788 /nfs/dbraw/zinc/24/97/88/1069249788.db2.gz NBEFESWAZYULHD-KDURUIRLSA-N 1 0 439.516 0.811 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1=O ZINC001469771809 1069249951 /nfs/dbraw/zinc/24/99/51/1069249951.db2.gz NBEFESWAZYULHD-OALUTQOASA-N 1 0 439.516 0.811 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1=O ZINC001469771812 1069249626 /nfs/dbraw/zinc/24/96/26/1069249626.db2.gz NBEFESWAZYULHD-RTBURBONSA-N 1 0 439.516 0.811 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CC1=O ZINC001469772129 1069249831 /nfs/dbraw/zinc/24/98/31/1069249831.db2.gz RYAWLRKEXMEPJK-KRWDZBQOSA-N 1 0 445.520 0.687 20 0 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NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001470518787 1069322965 /nfs/dbraw/zinc/32/29/65/1069322965.db2.gz QQMSKFIVXUOUOS-SFHVURJKSA-N 1 0 430.553 0.974 20 0 ICADRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@H+](C)C1 ZINC001470518854 1069322996 /nfs/dbraw/zinc/32/29/96/1069322996.db2.gz RLVTUIFDKMHPSG-FQEVSTJZSA-N 1 0 445.564 0.630 20 0 ICADRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@H+](C)C1 ZINC001470518863 1069323201 /nfs/dbraw/zinc/32/32/01/1069323201.db2.gz RLVTUIFDKMHPSG-HXUWFJFHSA-N 1 0 445.564 0.630 20 0 ICADRO Cn1nnnc1C1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC001470518870 1069323173 /nfs/dbraw/zinc/32/31/73/1069323173.db2.gz RNCBXLOAVQDEAJ-UHFFFAOYSA-N 1 0 440.552 0.997 20 0 ICADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001470550845 1069325334 /nfs/dbraw/zinc/32/53/34/1069325334.db2.gz BXNMGGLMSPWVMC-NHCUHLMSSA-N 1 0 431.581 0.939 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001470553772 1069325945 /nfs/dbraw/zinc/32/59/45/1069325945.db2.gz BWWJMVHGOASZQF-UHFFFAOYSA-N 1 0 439.578 0.920 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)[C@H](C)O)cc1 ZINC001470554534 1069326003 /nfs/dbraw/zinc/32/60/03/1069326003.db2.gz KJPATGYFUQJANF-HKUYNNGSSA-N 1 0 441.594 0.622 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)[C@@H](C)O)cc1 ZINC001470554535 1069325872 /nfs/dbraw/zinc/32/58/72/1069325872.db2.gz KJPATGYFUQJANF-IEBWSBKVSA-N 1 0 441.594 0.622 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)[C@@H](C)O)cc1 ZINC001470554537 1069325897 /nfs/dbraw/zinc/32/58/97/1069325897.db2.gz KJPATGYFUQJANF-MJGOQNOKSA-N 1 0 441.594 0.622 20 0 ICADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001470554576 1069326080 /nfs/dbraw/zinc/32/60/80/1069326080.db2.gz HFMXJQWLODZVSQ-IEBWSBKVSA-N 1 0 439.582 0.313 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)[C@H](C)O)cc1 ZINC001470554585 1069325918 /nfs/dbraw/zinc/32/59/18/1069325918.db2.gz KJPATGYFUQJANF-PKOBYXMFSA-N 1 0 441.594 0.622 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001470554879 1069325931 /nfs/dbraw/zinc/32/59/31/1069325931.db2.gz QBKCLOBENMDJCG-KRWDZBQOSA-N 1 0 447.985 0.578 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001470554881 1069325758 /nfs/dbraw/zinc/32/57/58/1069325758.db2.gz QBKCLOBENMDJCG-QGZVFWFLSA-N 1 0 447.985 0.578 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001470555419 1069325885 /nfs/dbraw/zinc/32/58/85/1069325885.db2.gz WXHYUPRVYCJBHP-AZUAARDMSA-N 1 0 435.540 0.929 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001470555420 1069325989 /nfs/dbraw/zinc/32/59/89/1069325989.db2.gz WXHYUPRVYCJBHP-ICSRJNTNSA-N 1 0 435.540 0.929 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001470555421 1069325856 /nfs/dbraw/zinc/32/58/56/1069325856.db2.gz WXHYUPRVYCJBHP-QUCCMNQESA-N 1 0 435.540 0.929 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001470555422 1069325740 /nfs/dbraw/zinc/32/57/40/1069325740.db2.gz WXHYUPRVYCJBHP-UYAOXDASSA-N 1 0 435.540 0.929 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC001470555667 1069325782 /nfs/dbraw/zinc/32/57/82/1069325782.db2.gz ZPCYCMSKDCWNQK-UHFFFAOYSA-N 1 0 442.582 0.259 20 0 ICADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001470564599 1069327092 /nfs/dbraw/zinc/32/70/92/1069327092.db2.gz FOGPCLWUJOSCGD-HNNXBMFYSA-N 1 0 433.958 0.793 20 0 ICADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001470564600 1069326902 /nfs/dbraw/zinc/32/69/02/1069326902.db2.gz FOGPCLWUJOSCGD-OAHLLOKOSA-N 1 0 433.958 0.793 20 0 ICADRO 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O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001470626281 1069333592 /nfs/dbraw/zinc/33/35/92/1069333592.db2.gz LVUJYXAZRGERKY-NEWSRXKRSA-N 1 0 441.594 0.419 20 0 ICADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001470626282 1069333533 /nfs/dbraw/zinc/33/35/33/1069333533.db2.gz LVUJYXAZRGERKY-NZSAHSFTSA-N 1 0 441.594 0.419 20 0 ICADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001470626283 1069333241 /nfs/dbraw/zinc/33/32/41/1069333241.db2.gz LVUJYXAZRGERKY-QRQLOZEOSA-N 1 0 441.594 0.419 20 0 ICADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001470639411 1069333954 /nfs/dbraw/zinc/33/39/54/1069333954.db2.gz KYCXLUUBKDYESC-KBXCAEBGSA-N 1 0 437.541 0.886 20 0 ICADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001470639505 1069333917 /nfs/dbraw/zinc/33/39/17/1069333917.db2.gz KYCXLUUBKDYESC-KDOFPFPSSA-N 1 0 437.541 0.886 20 0 ICADRO 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O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCN(CCc2cnccn2)CC1 ZINC001471181966 1069399634 /nfs/dbraw/zinc/39/96/34/1069399634.db2.gz LLUYPFCRSZYDNG-NRFANRHFSA-N 1 0 431.585 0.143 20 0 ICADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCN(CCc2cnccn2)CC1 ZINC001471181967 1069399912 /nfs/dbraw/zinc/39/99/12/1069399912.db2.gz LLUYPFCRSZYDNG-OAQYLSRUSA-N 1 0 431.585 0.143 20 0 ICADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001471182381 1069399738 /nfs/dbraw/zinc/39/97/38/1069399738.db2.gz MAHFGEUKLNKVLT-AWEZNQCLSA-N 1 0 431.463 0.619 20 0 ICADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001471182385 1069399602 /nfs/dbraw/zinc/39/96/02/1069399602.db2.gz MAHFGEUKLNKVLT-CQSZACIVSA-N 1 0 431.463 0.619 20 0 ICADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC001471182445 1069399773 /nfs/dbraw/zinc/39/97/73/1069399773.db2.gz NHXOAIYWAMZFBW-FQEVSTJZSA-N 1 0 436.601 0.716 20 0 ICADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC001471182448 1069399817 /nfs/dbraw/zinc/39/98/17/1069399817.db2.gz NHXOAIYWAMZFBW-HXUWFJFHSA-N 1 0 436.601 0.716 20 0 ICADRO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001471183181 1069400562 /nfs/dbraw/zinc/40/05/62/1069400562.db2.gz BLNHOJGZVIDMEM-MSOLQXFVSA-N 1 0 444.584 0.907 20 0 ICADRO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001471183186 1069400518 /nfs/dbraw/zinc/40/05/18/1069400518.db2.gz BLNHOJGZVIDMEM-QZTJIDSGSA-N 1 0 444.584 0.907 20 0 ICADRO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001471183188 1069400462 /nfs/dbraw/zinc/40/04/62/1069400462.db2.gz BLNHOJGZVIDMEM-ROUUACIJSA-N 1 0 444.584 0.907 20 0 ICADRO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001471183190 1069400603 /nfs/dbraw/zinc/40/06/03/1069400603.db2.gz BLNHOJGZVIDMEM-ZWKOTPCHSA-N 1 0 444.584 0.907 20 0 ICADRO CNC(=O)NC[C@H]1CN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001471196846 1069401706 /nfs/dbraw/zinc/40/17/06/1069401706.db2.gz MCPIGBYVVMYLIL-IBGZPJMESA-N 1 0 433.553 0.743 20 0 ICADRO CNC(=O)NC[C@@H]1CN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001471196847 1069401827 /nfs/dbraw/zinc/40/18/27/1069401827.db2.gz MCPIGBYVVMYLIL-LJQANCHMSA-N 1 0 433.553 0.743 20 0 ICADRO CC(C)(C)NS(=O)(=O)C1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC001471199784 1069402495 /nfs/dbraw/zinc/40/24/95/1069402495.db2.gz JAWSHUFCGULFLB-GOSISDBHSA-N 1 0 438.594 0.955 20 0 ICADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2nnc3n2CCNC3=O)CCOCC1 ZINC001471204495 1069403017 /nfs/dbraw/zinc/40/30/17/1069403017.db2.gz PXPMHMRVDCDUBG-UHFFFAOYSA-N 1 0 427.509 0.502 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)c2)CC1 ZINC001471214694 1069403814 /nfs/dbraw/zinc/40/38/14/1069403814.db2.gz KXVPJAYSCRLIQS-AZUAARDMSA-N 1 0 434.562 0.706 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)c2)CC1 ZINC001471214700 1069403832 /nfs/dbraw/zinc/40/38/32/1069403832.db2.gz KXVPJAYSCRLIQS-ICSRJNTNSA-N 1 0 434.562 0.706 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)c2)CC1 ZINC001471214705 1069403643 /nfs/dbraw/zinc/40/36/43/1069403643.db2.gz KXVPJAYSCRLIQS-QUCCMNQESA-N 1 0 434.562 0.706 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)c2)CC1 ZINC001471214710 1069403731 /nfs/dbraw/zinc/40/37/31/1069403731.db2.gz KXVPJAYSCRLIQS-UYAOXDASSA-N 1 0 434.562 0.706 20 0 ICADRO CN1CC[NH+](C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)CC1 ZINC001471233551 1069405680 /nfs/dbraw/zinc/40/56/80/1069405680.db2.gz ARZZQAKDKDRGGT-UHFFFAOYSA-N 1 0 445.383 0.949 20 0 ICADRO C[NH+]1CCN(C2CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001471234402 1069405773 /nfs/dbraw/zinc/40/57/73/1069405773.db2.gz JYXRJADHSRTHHL-KRWDZBQOSA-N 1 0 446.614 0.553 20 0 ICADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001471234631 1069405526 /nfs/dbraw/zinc/40/55/26/1069405526.db2.gz FDBIWARHBYYAHT-PBHICJAKSA-N 1 0 430.596 0.014 20 0 ICADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001471234633 1069405807 /nfs/dbraw/zinc/40/58/07/1069405807.db2.gz FDBIWARHBYYAHT-RHSMWYFYSA-N 1 0 430.596 0.014 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001471234635 1069405706 /nfs/dbraw/zinc/40/57/06/1069405706.db2.gz FDBIWARHBYYAHT-WMLDXEAASA-N 1 0 430.596 0.014 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001471234637 1069405723 /nfs/dbraw/zinc/40/57/23/1069405723.db2.gz FDBIWARHBYYAHT-YOEHRIQHSA-N 1 0 430.596 0.014 20 0 ICADRO CN1CC[NH+](C2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)CC1 ZINC001471235042 1069405784 /nfs/dbraw/zinc/40/57/84/1069405784.db2.gz NXUVUYGFGFKPAR-UHFFFAOYSA-N 1 0 433.557 0.922 20 0 ICADRO CN1CC[NH+](C2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC001471235477 1069405573 /nfs/dbraw/zinc/40/55/73/1069405573.db2.gz JTDVLSAAKPVWSK-JOCHJYFZSA-N 1 0 431.512 0.831 20 0 ICADRO CN1CC[NH+](C2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC001471235480 1069405592 /nfs/dbraw/zinc/40/55/92/1069405592.db2.gz JTDVLSAAKPVWSK-QFIPXVFZSA-N 1 0 431.512 0.831 20 0 ICADRO C[NH+]1CCN(C2CCN(C(=O)c3cccc(S(=O)(=O)N=S(C)(C)=O)c3)CC2)CC1 ZINC001471235843 1069405617 /nfs/dbraw/zinc/40/56/17/1069405617.db2.gz SXBNXYVCJNBZAA-UHFFFAOYSA-N 1 0 442.607 0.955 20 0 ICADRO CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)CC1 ZINC001471236330 1069405659 /nfs/dbraw/zinc/40/56/59/1069405659.db2.gz RGXAFHZXIGINLC-RTWAWAEBSA-N 1 0 430.549 0.997 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1=O ZINC001471264063 1069407492 /nfs/dbraw/zinc/40/74/92/1069407492.db2.gz HODUPGRLLDMZNL-FQEVSTJZSA-N 1 0 427.546 0.428 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1=O ZINC001471264064 1069407525 /nfs/dbraw/zinc/40/75/25/1069407525.db2.gz HODUPGRLLDMZNL-HXUWFJFHSA-N 1 0 427.546 0.428 20 0 ICADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001471274897 1069409375 /nfs/dbraw/zinc/40/93/75/1069409375.db2.gz SEFCLSZDNCQUAZ-INIZCTEOSA-N 1 0 447.602 0.782 20 0 ICADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001471274903 1069409389 /nfs/dbraw/zinc/40/93/89/1069409389.db2.gz SEFCLSZDNCQUAZ-MRXNPFEDSA-N 1 0 447.602 0.782 20 0 ICADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001471278271 1069409832 /nfs/dbraw/zinc/40/98/32/1069409832.db2.gz HLFGDBKAIGPJOG-UHFFFAOYSA-N 1 0 438.577 0.753 20 0 ICADRO CN1CC[NH+](CC2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)CC1 ZINC001471304547 1069412455 /nfs/dbraw/zinc/41/24/55/1069412455.db2.gz QDENFWCORJZBOW-UHFFFAOYSA-N 1 0 444.580 0.088 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001471304761 1069413124 /nfs/dbraw/zinc/41/31/24/1069413124.db2.gz BWWZUFPNKNNRMI-UHFFFAOYSA-N 1 0 433.553 0.513 20 0 ICADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001471305338 1069413140 /nfs/dbraw/zinc/41/31/40/1069413140.db2.gz KHCDUEOXQSSLPG-SFHVURJKSA-N 1 0 445.564 0.656 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001471305451 1069413748 /nfs/dbraw/zinc/41/37/48/1069413748.db2.gz MSHRJDXKAWCRAK-IBGZPJMESA-N 1 0 431.537 0.314 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001471305452 1069413730 /nfs/dbraw/zinc/41/37/30/1069413730.db2.gz MSHRJDXKAWCRAK-LJQANCHMSA-N 1 0 431.537 0.314 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001471305892 1069413757 /nfs/dbraw/zinc/41/37/57/1069413757.db2.gz QPUMWFWQFCMKBQ-UHFFFAOYSA-N 1 0 431.537 0.267 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001471306321 1069413793 /nfs/dbraw/zinc/41/37/93/1069413793.db2.gz WLOMRAZRZHGYBP-UHFFFAOYSA-N 1 0 445.564 0.515 20 0 ICADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001471306567 1069413715 /nfs/dbraw/zinc/41/37/15/1069413715.db2.gz YITDHCYMHHRISR-UHFFFAOYSA-N 1 0 432.569 0.040 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001471311340 1069414911 /nfs/dbraw/zinc/41/49/11/1069414911.db2.gz UMRQINBHNGVABG-UHFFFAOYSA-N 1 0 427.571 0.239 20 0 ICADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001471316069 1069414919 /nfs/dbraw/zinc/41/49/19/1069414919.db2.gz BGKAGDHGPKULNL-KRWDZBQOSA-N 1 0 436.940 0.885 20 0 ICADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001471316072 1069415337 /nfs/dbraw/zinc/41/53/37/1069415337.db2.gz BGKAGDHGPKULNL-QGZVFWFLSA-N 1 0 436.940 0.885 20 0 ICADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1 ZINC001471317552 1069415321 /nfs/dbraw/zinc/41/53/21/1069415321.db2.gz NMFSIRVNQNYDJS-INIZCTEOSA-N 1 0 425.551 0.933 20 0 ICADRO CC(=O)NC[C@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC001471321738 1069416668 /nfs/dbraw/zinc/41/66/68/1069416668.db2.gz GYUOJRCEBXZYOD-KRWDZBQOSA-N 1 0 427.546 0.522 20 0 ICADRO CC(=O)NC[C@@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC001471321741 1069416649 /nfs/dbraw/zinc/41/66/49/1069416649.db2.gz GYUOJRCEBXZYOD-QGZVFWFLSA-N 1 0 427.546 0.522 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC001471322378 1069416716 /nfs/dbraw/zinc/41/67/16/1069416716.db2.gz KLBHKBYDSLDEIX-UHFFFAOYSA-N 1 0 447.602 0.686 20 0 ICADRO O=C(CNC(=O)NCCN1Cc2ccccc2OCC1=O)NCC[NH+]1CCCCCC1 ZINC001471322864 1069417201 /nfs/dbraw/zinc/41/72/01/1069417201.db2.gz QZOPXBZUJSJXCO-UHFFFAOYSA-N 1 0 431.537 0.699 20 0 ICADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001471338762 1069419822 /nfs/dbraw/zinc/41/98/22/1069419822.db2.gz FGQYJCFMBRFIHM-BBWFWOEESA-N 1 0 432.612 0.402 20 0 ICADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001471338763 1069419901 /nfs/dbraw/zinc/41/99/01/1069419901.db2.gz FGQYJCFMBRFIHM-BRWVUGGUSA-N 1 0 432.612 0.402 20 0 ICADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001471338764 1069419883 /nfs/dbraw/zinc/41/98/83/1069419883.db2.gz FGQYJCFMBRFIHM-GVDBMIGSSA-N 1 0 432.612 0.402 20 0 ICADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001471338765 1069419854 /nfs/dbraw/zinc/41/98/54/1069419854.db2.gz FGQYJCFMBRFIHM-ZACQAIPSSA-N 1 0 432.612 0.402 20 0 ICADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cc(N(C)C)cc[nH+]3)CC2)C[C@H](C)O1 ZINC001471356495 1069420497 /nfs/dbraw/zinc/42/04/97/1069420497.db2.gz AWWVDQFTAWAQAJ-HOTGVXAUSA-N 1 0 440.570 0.329 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cc(N(C)C)cc[nH+]3)CC2)C[C@@H](C)O1 ZINC001471356498 1069420516 /nfs/dbraw/zinc/42/05/16/1069420516.db2.gz AWWVDQFTAWAQAJ-HZPDHXFCSA-N 1 0 440.570 0.329 20 0 ICADRO 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C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)C[C@H]2C1 ZINC001472350288 1069554003 /nfs/dbraw/zinc/55/40/03/1069554003.db2.gz UEZFMTJBGNHNOR-BFHYXJOUSA-N 1 0 442.969 0.906 20 0 ICADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)C[C@@H]2C1 ZINC001472350289 1069554038 /nfs/dbraw/zinc/55/40/38/1069554038.db2.gz UEZFMTJBGNHNOR-HZSPNIEDSA-N 1 0 442.969 0.906 20 0 ICADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)C[C@@H]2C1 ZINC001472350290 1069554057 /nfs/dbraw/zinc/55/40/57/1069554057.db2.gz UEZFMTJBGNHNOR-MELADBBJSA-N 1 0 442.969 0.906 20 0 ICADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)C[C@H]2C1 ZINC001472350291 1069553986 /nfs/dbraw/zinc/55/39/86/1069553986.db2.gz UEZFMTJBGNHNOR-MGPQQGTHSA-N 1 0 442.969 0.906 20 0 ICADRO CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC001472364273 1069555902 /nfs/dbraw/zinc/55/59/02/1069555902.db2.gz OTLKBMNNVCXNOF-FQEVSTJZSA-N 1 0 426.565 0.950 20 0 ICADRO CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC001472364274 1069555996 /nfs/dbraw/zinc/55/59/96/1069555996.db2.gz OTLKBMNNVCXNOF-HXUWFJFHSA-N 1 0 426.565 0.950 20 0 ICADRO CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC001472364451 1069556052 /nfs/dbraw/zinc/55/60/52/1069556052.db2.gz UNMONBZQPCZHSM-JOCHJYFZSA-N 1 0 429.609 0.906 20 0 ICADRO CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC001472364452 1069556107 /nfs/dbraw/zinc/55/61/07/1069556107.db2.gz UNMONBZQPCZHSM-QFIPXVFZSA-N 1 0 429.609 0.906 20 0 ICADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c3ccncc23)cn1 ZINC001472389021 1069558535 /nfs/dbraw/zinc/55/85/35/1069558535.db2.gz YYWGBTCNBWKFFO-UHFFFAOYSA-N 1 0 443.533 0.637 20 0 ICADRO CC(C)Cc1nnc(NC(=O)CCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)s1 ZINC001472408758 1069560678 /nfs/dbraw/zinc/56/06/78/1069560678.db2.gz ANTXKRUFGWQOEZ-IFXJQAMLSA-N 1 0 425.555 0.797 20 0 ICADRO O=C(COc1ccccc1)N1CCC(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001472408818 1069560693 /nfs/dbraw/zinc/56/06/93/1069560693.db2.gz DONHGCOZWLVATL-WMZHIEFXSA-N 1 0 431.533 0.646 20 0 ICADRO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C(=O)c1ccc(Br)o1 ZINC001472408853 1069560776 /nfs/dbraw/zinc/56/07/76/1069560776.db2.gz GBBYUKPFTXFQNK-YVEFUNNKSA-N 1 0 430.299 0.456 20 0 ICADRO Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)c2)cc1 ZINC001472408906 1069560649 /nfs/dbraw/zinc/56/06/49/1069560649.db2.gz HGRYBAGKTUUTGU-GHTZIAJQSA-N 1 0 433.530 0.989 20 0 ICADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001472409316 1069560765 /nfs/dbraw/zinc/56/07/65/1069560765.db2.gz SDVGPTAQALWBPL-HNAYVOBHSA-N 1 0 443.953 0.835 20 0 ICADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC001472409319 1069560401 /nfs/dbraw/zinc/56/04/01/1069560401.db2.gz SEUAJIZCPOLLIZ-CNNODRBYSA-N 1 0 433.553 0.359 20 0 ICADRO 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O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001472409630 1069561219 /nfs/dbraw/zinc/56/12/19/1069561219.db2.gz ZAORVTCYVQLPPX-RLFYNMQTSA-N 1 0 429.564 0.243 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1C ZINC001472414970 1069561726 /nfs/dbraw/zinc/56/17/26/1069561726.db2.gz ZOYATSAOGOVZAA-GDAAHCPNSA-N 1 0 436.578 0.672 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC001472414971 1069561789 /nfs/dbraw/zinc/56/17/89/1069561789.db2.gz ZOYATSAOGOVZAA-JCHJZTRSSA-N 1 0 436.578 0.672 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1C ZINC001472414973 1069561637 /nfs/dbraw/zinc/56/16/37/1069561637.db2.gz ZOYATSAOGOVZAA-NXWXRZEISA-N 1 0 436.578 0.672 20 0 ICADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1C ZINC001472414974 1069561702 /nfs/dbraw/zinc/56/17/02/1069561702.db2.gz ZOYATSAOGOVZAA-QXCFHYIPSA-N 1 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CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1)C(C)C ZINC001472491529 1069564530 /nfs/dbraw/zinc/56/45/30/1069564530.db2.gz KATWTTBEZJTXHT-UHFFFAOYSA-N 1 0 435.573 0.652 20 0 ICADRO CC(C)[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001472500336 1069566496 /nfs/dbraw/zinc/56/64/96/1069566496.db2.gz AZLXJBJISXSDFR-UHFFFAOYSA-N 1 0 446.595 0.191 20 0 ICADRO COC1CC[NH+](C(C)(C)CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC001472510851 1069566907 /nfs/dbraw/zinc/56/69/07/1069566907.db2.gz PEYRUBSWWFLKNW-UHFFFAOYSA-N 1 0 446.552 0.996 20 0 ICADRO CC(C)(C)[NH2+]CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001472514927 1069567131 /nfs/dbraw/zinc/56/71/31/1069567131.db2.gz GVCGXXDOABMPHC-UHFFFAOYSA-N 1 0 446.595 0.239 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)nc2n(C)c1=O ZINC001472519937 1069566986 /nfs/dbraw/zinc/56/69/86/1069566986.db2.gz MIEKIBOLZQZKDN-HNNXBMFYSA-N 1 0 430.509 0.171 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)nc2n(C)c1=O ZINC001472519997 1069567094 /nfs/dbraw/zinc/56/70/94/1069567094.db2.gz MIEKIBOLZQZKDN-OAHLLOKOSA-N 1 0 430.509 0.171 20 0 ICADRO CCOc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC001472549857 1069568507 /nfs/dbraw/zinc/56/85/07/1069568507.db2.gz RTXRQVCOZXHDIU-UHFFFAOYSA-N 1 0 426.583 0.896 20 0 ICADRO C[N@@H+]1CCN(CCNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1(C)C ZINC001472551076 1069568434 /nfs/dbraw/zinc/56/84/34/1069568434.db2.gz KPQIYORTXKQCTQ-GOSISDBHSA-N 1 0 433.553 0.689 20 0 ICADRO C[N@@H+]1CCN(CCNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1(C)C ZINC001472551081 1069568446 /nfs/dbraw/zinc/56/84/46/1069568446.db2.gz KPQIYORTXKQCTQ-SFHVURJKSA-N 1 0 433.553 0.689 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1 ZINC001472560226 1069568910 /nfs/dbraw/zinc/56/89/10/1069568910.db2.gz YATDMBIKUPOGSR-UHFFFAOYSA-N 1 0 430.557 0.705 20 0 ICADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)[C@@H]1c1ccccc1 ZINC001472562809 1069568954 /nfs/dbraw/zinc/56/89/54/1069568954.db2.gz UKVYRJDYKHWBPT-IRXDYDNUSA-N 1 0 428.580 0.796 20 0 ICADRO COc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1S(=O)(=O)NCc1ccccn1 ZINC001472563577 1069568973 /nfs/dbraw/zinc/56/89/73/1069568973.db2.gz NKKJDOZPMHBOAU-UHFFFAOYSA-N 1 0 448.545 0.755 20 0 ICADRO CCn1c2ccc(NC(=O)CCC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)nc2n(CC)c1=O ZINC001472564808 1069569443 /nfs/dbraw/zinc/56/94/43/1069569443.db2.gz WOSRWXJCBDRODG-INIZCTEOSA-N 1 0 446.552 0.920 20 0 ICADRO CCn1c2ccc(NC(=O)CCC(=O)NC[C@H]3CCCC[N@@H+]3CCO)nc2n(CC)c1=O ZINC001472564809 1069569292 /nfs/dbraw/zinc/56/92/92/1069569292.db2.gz WOSRWXJCBDRODG-MRXNPFEDSA-N 1 0 446.552 0.920 20 0 ICADRO CC[NH+]1CCC(N2CCCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001472579659 1069570339 /nfs/dbraw/zinc/57/03/39/1069570339.db2.gz MQSZQPLSVMKWSE-UHFFFAOYSA-N 1 0 427.571 0.588 20 0 ICADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)CCO2 ZINC001472582206 1069571017 /nfs/dbraw/zinc/57/10/17/1069571017.db2.gz LGNURIPLMJGEEF-GOSISDBHSA-N 1 0 432.521 0.870 20 0 ICADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)CCO2 ZINC001472582207 1069570839 /nfs/dbraw/zinc/57/08/39/1069570839.db2.gz LGNURIPLMJGEEF-SFHVURJKSA-N 1 0 432.521 0.870 20 0 ICADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001472583742 1069571086 /nfs/dbraw/zinc/57/10/86/1069571086.db2.gz DSUGKFSIXJNJJH-UHFFFAOYSA-N 1 0 443.529 0.555 20 0 ICADRO O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001472590052 1069571432 /nfs/dbraw/zinc/57/14/32/1069571432.db2.gz KJBZREPANRZSHR-UHFFFAOYSA-N 1 0 427.523 0.267 20 0 ICADRO CCn1c2ccc(NC(=O)CCC(=O)N3CC(N4CC[C@@H](O)C4)C3)nc2n(CC)c1=O ZINC001472593636 1069571577 /nfs/dbraw/zinc/57/15/77/1069571577.db2.gz GYLGMIFFRKICSI-OAHLLOKOSA-N 1 0 430.509 0.234 20 0 ICADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC001472611946 1069573765 /nfs/dbraw/zinc/57/37/65/1069573765.db2.gz DNTFVPHCNCZNGM-AWEZNQCLSA-N 1 0 430.958 0.514 20 0 ICADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC001472611947 1069573590 /nfs/dbraw/zinc/57/35/90/1069573590.db2.gz DNTFVPHCNCZNGM-CQSZACIVSA-N 1 0 430.958 0.514 20 0 ICADRO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)c(C)c12 ZINC001472611964 1069573839 /nfs/dbraw/zinc/57/38/39/1069573839.db2.gz FGHFLYOFUWEWFO-GOSISDBHSA-N 1 0 444.580 0.724 20 0 ICADRO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)c(C)c12 ZINC001472611965 1069573651 /nfs/dbraw/zinc/57/36/51/1069573651.db2.gz FGHFLYOFUWEWFO-SFHVURJKSA-N 1 0 444.580 0.724 20 0 ICADRO CCCn1c(CCC(=O)N2CC([NH2+][C@H]3CCOC3)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC001472624846 1069574778 /nfs/dbraw/zinc/57/47/78/1069574778.db2.gz YUONUMWBTOGWGS-AWEZNQCLSA-N 1 0 435.550 0.616 20 0 ICADRO 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C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1(CO)CCOCC1 ZINC001473385438 1069590272 /nfs/dbraw/zinc/59/02/72/1069590272.db2.gz PHYNRJYUWUOTCB-WJDWOHSUSA-N 1 0 434.518 0.707 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC001473398094 1069590917 /nfs/dbraw/zinc/59/09/17/1069590917.db2.gz WGEFGJIBYZOCJX-PMACEKPBSA-N 1 0 438.594 0.616 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC001473398095 1069591033 /nfs/dbraw/zinc/59/10/33/1069591033.db2.gz WGEFGJIBYZOCJX-UXHICEINSA-N 1 0 438.594 0.616 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC001473398096 1069591214 /nfs/dbraw/zinc/59/12/14/1069591214.db2.gz WGEFGJIBYZOCJX-VQTJNVASSA-N 1 0 438.594 0.616 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC001473398097 1069591004 /nfs/dbraw/zinc/59/10/04/1069591004.db2.gz WGEFGJIBYZOCJX-WOJBJXKFSA-N 1 0 438.594 0.616 20 0 ICADRO 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CNC(=O)[C@@H]([NH2+]CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C(C)C ZINC001473429518 1069591724 /nfs/dbraw/zinc/59/17/24/1069591724.db2.gz WHLGKQYTDRSBPB-SFHVURJKSA-N 1 0 440.566 0.631 20 0 ICADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 ZINC001473444624 1069592385 /nfs/dbraw/zinc/59/23/85/1069592385.db2.gz XIIURWSGUZQKGL-AWEZNQCLSA-N 1 0 432.543 0.057 20 0 ICADRO CNS(=O)(=O)NC1CC[NH+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 ZINC001473444627 1069592496 /nfs/dbraw/zinc/59/24/96/1069592496.db2.gz XIIURWSGUZQKGL-CQSZACIVSA-N 1 0 432.543 0.057 20 0 ICADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)CC2)cc1 ZINC001473458595 1069592282 /nfs/dbraw/zinc/59/22/82/1069592282.db2.gz AMARVWYNHOYWHC-FQEVSTJZSA-N 1 0 438.550 0.212 20 0 ICADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)CC2)cc1 ZINC001473458605 1069592315 /nfs/dbraw/zinc/59/23/15/1069592315.db2.gz AMARVWYNHOYWHC-HXUWFJFHSA-N 1 0 438.550 0.212 20 0 ICADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(N)=O ZINC001473458932 1069592213 /nfs/dbraw/zinc/59/22/13/1069592213.db2.gz DBOYJNFCSDMGEW-GOSISDBHSA-N 1 0 446.957 0.789 20 0 ICADRO CC(C)[C@](C)([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(N)=O ZINC001473458937 1069592424 /nfs/dbraw/zinc/59/24/24/1069592424.db2.gz DBOYJNFCSDMGEW-SFHVURJKSA-N 1 0 446.957 0.789 20 0 ICADRO O=C(C[NH2+]C1(C2CC2)CCOCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473459030 1069592562 /nfs/dbraw/zinc/59/25/62/1069592562.db2.gz QBXZREUGRYROJY-UHFFFAOYSA-N 1 0 437.562 0.873 20 0 ICADRO CC(C)NS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001473469779 1069593153 /nfs/dbraw/zinc/59/31/53/1069593153.db2.gz VCXJJTAYHFKMQO-UHFFFAOYSA-N 1 0 437.610 0.759 20 0 ICADRO NC(=O)c1ncn(C2CC[NH+](CCOCCN3C(=O)c4ccccc4C3=O)CC2)c1N ZINC001473470686 1069593000 /nfs/dbraw/zinc/59/30/00/1069593000.db2.gz AYIOGUMNXYNPHS-UHFFFAOYSA-N 1 0 426.477 0.514 20 0 ICADRO COCCOc1ccc(CNC(=O)C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 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PGXHARPVQNVLFX-QGZVFWFLSA-N 1 0 427.523 0.812 20 0 ICADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3CCOC3(C)C)CC2)c1 ZINC001473482388 1069594910 /nfs/dbraw/zinc/59/49/10/1069594910.db2.gz VOPCKRYJUYYBBP-GOSISDBHSA-N 1 0 441.550 0.694 20 0 ICADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3CCOC3(C)C)CC2)c1 ZINC001473482389 1069595148 /nfs/dbraw/zinc/59/51/48/1069595148.db2.gz VOPCKRYJUYYBBP-SFHVURJKSA-N 1 0 441.550 0.694 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3cc(F)ncn3)CC2)cc1 ZINC001473482471 1069594980 /nfs/dbraw/zinc/59/49/80/1069594980.db2.gz AEIJXQQSAZEMDR-UHFFFAOYSA-N 1 0 436.513 0.134 20 0 ICADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)C ZINC001473489775 1069595950 /nfs/dbraw/zinc/59/59/50/1069595950.db2.gz PXPJBVXIFSNNDV-IBGZPJMESA-N 1 0 442.557 0.751 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001473489814 1069595938 /nfs/dbraw/zinc/59/59/38/1069595938.db2.gz RGTYGCRYWMUZEY-UHFFFAOYSA-N 1 0 432.565 0.600 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3ccnc(F)c3)CC2)cc1 ZINC001473491538 1069595856 /nfs/dbraw/zinc/59/58/56/1069595856.db2.gz XEIGPKZVIAJQLI-UHFFFAOYSA-N 1 0 435.525 0.739 20 0 ICADRO COCC1([NH2+]CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CCOCC1 ZINC001473493517 1069596524 /nfs/dbraw/zinc/59/65/24/1069596524.db2.gz DHYHELCSLVPDDU-UHFFFAOYSA-N 1 0 439.557 0.961 20 0 ICADRO COCC1([NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCOCC1 ZINC001473493724 1069596613 /nfs/dbraw/zinc/59/66/13/1069596613.db2.gz IEPRKUKHYVQNGI-UHFFFAOYSA-N 1 0 429.514 0.444 20 0 ICADRO COCC1([NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCOCC1 ZINC001473494154 1069596536 /nfs/dbraw/zinc/59/65/36/1069596536.db2.gz OUVBUQACWMQFRE-UHFFFAOYSA-N 1 0 441.550 0.109 20 0 ICADRO COc1ccc(NC(=O)CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1S(=O)(=O)N(C)C ZINC001473494580 1069596551 /nfs/dbraw/zinc/59/65/51/1069596551.db2.gz AUELJXNQHVGRLS-WBVHZDCISA-N 1 0 426.539 0.289 20 0 ICADRO 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CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC001477250643 1069910185 /nfs/dbraw/zinc/91/01/85/1069910185.db2.gz BHDMOIUQQZVABG-UHFFFAOYSA-N 1 0 426.587 0.019 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CC1 ZINC001477250670 1069910369 /nfs/dbraw/zinc/91/03/69/1069910369.db2.gz BULIOOFTWIUEOD-NRFANRHFSA-N 1 0 443.592 0.997 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 ZINC001477250671 1069910158 /nfs/dbraw/zinc/91/01/58/1069910158.db2.gz BULIOOFTWIUEOD-OAQYLSRUSA-N 1 0 443.592 0.997 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@]23COC(=O)N2CCOC3)CC1 ZINC001477250692 1069910233 /nfs/dbraw/zinc/91/02/33/1069910233.db2.gz CKCRWXYAZZSSBI-JOCHJYFZSA-N 1 0 431.537 0.845 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@]23COC(=O)N2CCOC3)CC1 ZINC001477250693 1069910345 /nfs/dbraw/zinc/91/03/45/1069910345.db2.gz CKCRWXYAZZSSBI-QFIPXVFZSA-N 1 0 431.537 0.845 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001477251404 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CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001477886042 1069958254 /nfs/dbraw/zinc/95/82/54/1069958254.db2.gz BKIIDGUAEVRFKS-SFNQZPIRSA-N 1 0 430.615 0.746 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC001477887812 1069958090 /nfs/dbraw/zinc/95/80/90/1069958090.db2.gz TWQBAJVCWCHVFT-KRWDZBQOSA-N 1 0 425.599 0.710 20 0 ICADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC001477887813 1069958313 /nfs/dbraw/zinc/95/83/13/1069958313.db2.gz TWQBAJVCWCHVFT-QGZVFWFLSA-N 1 0 425.599 0.710 20 0 ICADRO C[C@H](CNC(=O)N1CCn2ncc(I)c2C1)C[NH+]1CCN(C)CC1 ZINC001477888006 1069958269 /nfs/dbraw/zinc/95/82/69/1069958269.db2.gz VMTSMHNSNZLMKW-CYBMUJFWSA-N 1 0 446.337 0.896 20 0 ICADRO C[C@@H](CNC(=O)N1CCn2ncc(I)c2C1)C[NH+]1CCN(C)CC1 ZINC001477888007 1069958029 /nfs/dbraw/zinc/95/80/29/1069958029.db2.gz VMTSMHNSNZLMKW-ZDUSSCGKSA-N 1 0 446.337 0.896 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1=O ZINC001477909928 1069958781 /nfs/dbraw/zinc/95/87/81/1069958781.db2.gz YQWFCZXVIIQIEQ-UHFFFAOYSA-N 1 0 436.601 0.126 20 0 ICADRO COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001477919215 1069959392 /nfs/dbraw/zinc/95/93/92/1069959392.db2.gz APVBIILRNNAPEK-HRAATJIYSA-N 1 0 426.558 0.964 20 0 ICADRO COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001477919216 1069959442 /nfs/dbraw/zinc/95/94/42/1069959442.db2.gz APVBIILRNNAPEK-IERDGZPVSA-N 1 0 426.558 0.964 20 0 ICADRO COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001477919217 1069959324 /nfs/dbraw/zinc/95/93/24/1069959324.db2.gz APVBIILRNNAPEK-IIBYNOLFSA-N 1 0 426.558 0.964 20 0 ICADRO COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001477919218 1069959379 /nfs/dbraw/zinc/95/93/79/1069959379.db2.gz APVBIILRNNAPEK-KKSFZXQISA-N 1 0 426.558 0.964 20 0 ICADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1 ZINC001477919318 1069959938 /nfs/dbraw/zinc/95/99/38/1069959938.db2.gz CPOYUXAOKIWIHT-KRWDZBQOSA-N 1 0 443.548 0.940 20 0 ICADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1 ZINC001477919319 1069960106 /nfs/dbraw/zinc/96/01/06/1069960106.db2.gz CPOYUXAOKIWIHT-QGZVFWFLSA-N 1 0 443.548 0.940 20 0 ICADRO C[N@@H+]1C[C@@]23CN(C(=O)NCCS(=O)(=O)NC[C@H]4CCCCO4)C[C@]2(C1)CCCC3 ZINC001477919366 1069960015 /nfs/dbraw/zinc/96/00/15/1069960015.db2.gz DMLAEECNPWLMFZ-RLLQIKCJSA-N 1 0 428.599 0.992 20 0 ICADRO C[N@@H+]1C[C@@]23CN(C(=O)NCCS(=O)(=O)NC[C@@H]4CCCCO4)C[C@]2(C1)CCCC3 ZINC001477919367 1069960159 /nfs/dbraw/zinc/96/01/59/1069960159.db2.gz DMLAEECNPWLMFZ-YSIASYRMSA-N 1 0 428.599 0.992 20 0 ICADRO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001477919391 1069959997 /nfs/dbraw/zinc/95/99/97/1069959997.db2.gz FMEFTMJBWBVSMV-HOLBHBGLSA-N 1 0 430.571 0.060 20 0 ICADRO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001477919392 1069959916 /nfs/dbraw/zinc/95/99/16/1069959916.db2.gz FMEFTMJBWBVSMV-MHTXLSKPSA-N 1 0 430.571 0.060 20 0 ICADRO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001477919393 1069960122 /nfs/dbraw/zinc/96/01/22/1069960122.db2.gz FMEFTMJBWBVSMV-PEGYKEAPSA-N 1 0 430.571 0.060 20 0 ICADRO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001477919394 1069960049 /nfs/dbraw/zinc/96/00/49/1069960049.db2.gz FMEFTMJBWBVSMV-WNNBVUDTSA-N 1 0 430.571 0.060 20 0 ICADRO CC(C)(C)NS(=O)(=O)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC001477920031 1069960079 /nfs/dbraw/zinc/96/00/79/1069960079.db2.gz OHPWCQSYPXNSSJ-HNNXBMFYSA-N 1 0 431.603 0.514 20 0 ICADRO CC(C)(C)NS(=O)(=O)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC001477920032 1069960147 /nfs/dbraw/zinc/96/01/47/1069960147.db2.gz OHPWCQSYPXNSSJ-OAHLLOKOSA-N 1 0 431.603 0.514 20 0 ICADRO CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001477920213 1069960686 /nfs/dbraw/zinc/96/06/86/1069960686.db2.gz QFKIKHUMQMXFIE-INIZCTEOSA-N 1 0 429.521 0.902 20 0 ICADRO CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001477920214 1069960673 /nfs/dbraw/zinc/96/06/73/1069960673.db2.gz QFKIKHUMQMXFIE-MRXNPFEDSA-N 1 0 429.521 0.902 20 0 ICADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001477920239 1069960729 /nfs/dbraw/zinc/96/07/29/1069960729.db2.gz QQWZXXTZIMYZRW-HNNXBMFYSA-N 1 0 434.516 0.344 20 0 ICADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001477920240 1069960709 /nfs/dbraw/zinc/96/07/09/1069960709.db2.gz QQWZXXTZIMYZRW-OAHLLOKOSA-N 1 0 434.516 0.344 20 0 ICADRO COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC001477923791 1069961089 /nfs/dbraw/zinc/96/10/89/1069961089.db2.gz FWKZMAMEJVCRRF-NRFANRHFSA-N 1 0 428.574 0.783 20 0 ICADRO COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC001477923792 1069961174 /nfs/dbraw/zinc/96/11/74/1069961174.db2.gz FWKZMAMEJVCRRF-OAQYLSRUSA-N 1 0 428.574 0.783 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001477928452 1069961129 /nfs/dbraw/zinc/96/11/29/1069961129.db2.gz WIKPLUCBJBCYCO-IBGZPJMESA-N 1 0 444.580 0.229 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001477928453 1069961237 /nfs/dbraw/zinc/96/12/37/1069961237.db2.gz WIKPLUCBJBCYCO-LJQANCHMSA-N 1 0 444.580 0.229 20 0 ICADRO COC1CC[NH+](C(C)(C)CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001477929852 1069961306 /nfs/dbraw/zinc/96/13/06/1069961306.db2.gz UAOCMHHWGJUJCV-UHFFFAOYSA-N 1 0 433.553 0.608 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC001477936888 1069961983 /nfs/dbraw/zinc/96/19/83/1069961983.db2.gz LDCPABASPOCAGG-UHFFFAOYSA-N 1 0 435.472 0.640 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NC[C@H](O)Cn2ccnn2)CC1 ZINC001477938651 1069961892 /nfs/dbraw/zinc/96/18/92/1069961892.db2.gz YRHTUMAPEGWCOK-INIZCTEOSA-N 1 0 441.458 0.909 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NC[C@@H](O)Cn2ccnn2)CC1 ZINC001477938656 1069961850 /nfs/dbraw/zinc/96/18/50/1069961850.db2.gz YRHTUMAPEGWCOK-MRXNPFEDSA-N 1 0 441.458 0.909 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001477950052 1069961739 /nfs/dbraw/zinc/96/17/39/1069961739.db2.gz DOASFKSSIARCTC-IBGZPJMESA-N 1 0 445.564 0.561 20 0 ICADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001477950055 1069961767 /nfs/dbraw/zinc/96/17/67/1069961767.db2.gz DOASFKSSIARCTC-LJQANCHMSA-N 1 0 445.564 0.561 20 0 ICADRO C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC001477952727 1069962591 /nfs/dbraw/zinc/96/25/91/1069962591.db2.gz LJJCJUCZWNBQAL-IYBDPMFKSA-N 1 0 432.587 0.056 20 0 ICADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCO1 ZINC001477952823 1069962560 /nfs/dbraw/zinc/96/25/60/1069962560.db2.gz NYNDSMWJODFSGV-GOSISDBHSA-N 1 0 446.614 0.712 20 0 ICADRO C[NH+](C)CCC[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCO1 ZINC001477952824 1069962558 /nfs/dbraw/zinc/96/25/58/1069962558.db2.gz NYNDSMWJODFSGV-SFHVURJKSA-N 1 0 446.614 0.712 20 0 ICADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001477952825 1069962598 /nfs/dbraw/zinc/96/25/98/1069962598.db2.gz OBHCLICNIOQQMK-KRWDZBQOSA-N 1 0 432.587 0.106 20 0 ICADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001477952826 1069962633 /nfs/dbraw/zinc/96/26/33/1069962633.db2.gz OBHCLICNIOQQMK-QGZVFWFLSA-N 1 0 432.587 0.106 20 0 ICADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001477953233 1069963295 /nfs/dbraw/zinc/96/32/95/1069963295.db2.gz ZRWGROYPSIESQO-GOSISDBHSA-N 1 0 444.598 0.512 20 0 ICADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001477953234 1069963264 /nfs/dbraw/zinc/96/32/64/1069963264.db2.gz ZRWGROYPSIESQO-SFHVURJKSA-N 1 0 444.598 0.512 20 0 ICADRO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC001477968244 1069963977 /nfs/dbraw/zinc/96/39/77/1069963977.db2.gz BFOCMCVWTGRMAT-UHFFFAOYSA-N 1 0 440.566 0.618 20 0 ICADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC3CCN(c4cc[nH+]cc4)CC3)CC2)cn1 ZINC001477982148 1069965770 /nfs/dbraw/zinc/96/57/70/1069965770.db2.gz CKGOETNXQFKVJL-UHFFFAOYSA-N 1 0 447.565 0.936 20 0 ICADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982209 1069965742 /nfs/dbraw/zinc/96/57/42/1069965742.db2.gz DXFGQDOVSFZQNJ-INIZCTEOSA-N 1 0 443.618 0.144 20 0 ICADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](CC[NH+](C)C)c3cccnc3)CC2)cn1 ZINC001477984842 1069966507 /nfs/dbraw/zinc/96/65/07/1069966507.db2.gz XBSODNHYFRVIOR-IBGZPJMESA-N 1 0 449.581 0.960 20 0 ICADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@H](CC[NH+](C)C)c3cccnc3)CC2)cn1 ZINC001477984843 1069966419 /nfs/dbraw/zinc/96/64/19/1069966419.db2.gz XBSODNHYFRVIOR-LJQANCHMSA-N 1 0 449.581 0.960 20 0 ICADRO C[NH+](C)C1(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)Cc2ccccc2C1 ZINC001477999317 1069967140 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AROZBFXYVVMYHI-UHFFFAOYSA-N 1 0 444.580 0.475 20 0 ICADRO CNC(=O)NC1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC001478821585 1070019618 /nfs/dbraw/zinc/01/96/18/1070019618.db2.gz CPRZXIGAUQIVPB-UHFFFAOYSA-N 1 0 430.553 0.987 20 0 ICADRO CNC(=O)NC[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC001478822058 1070019588 /nfs/dbraw/zinc/01/95/88/1070019588.db2.gz RZWCWOAVIPXSNI-IBGZPJMESA-N 1 0 446.552 0.223 20 0 ICADRO CNC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC001478822059 1070019370 /nfs/dbraw/zinc/01/93/70/1070019370.db2.gz RZWCWOAVIPXSNI-LJQANCHMSA-N 1 0 446.552 0.223 20 0 ICADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001478840183 1070020128 /nfs/dbraw/zinc/02/01/28/1070020128.db2.gz PZIGRBHKKLBZPO-IAGOWNOFSA-N 1 0 425.493 0.754 20 0 ICADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001478844000 1070020826 /nfs/dbraw/zinc/02/08/26/1070020826.db2.gz OHBUYRIVHOHQGN-KRWDZBQOSA-N 1 0 428.541 0.850 20 0 ICADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001478844003 1070020897 /nfs/dbraw/zinc/02/08/97/1070020897.db2.gz OHBUYRIVHOHQGN-QGZVFWFLSA-N 1 0 428.541 0.850 20 0 ICADRO CN1C(=O)CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC001478857294 1070021800 /nfs/dbraw/zinc/02/18/00/1070021800.db2.gz XIMHRKHWOXVXHQ-MSOLQXFVSA-N 1 0 428.537 0.773 20 0 ICADRO CN1C(=O)CC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC001478857295 1070022045 /nfs/dbraw/zinc/02/20/45/1070022045.db2.gz XIMHRKHWOXVXHQ-QZTJIDSGSA-N 1 0 428.537 0.773 20 0 ICADRO CN1C(=O)CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC001478857296 1070022084 /nfs/dbraw/zinc/02/20/84/1070022084.db2.gz XIMHRKHWOXVXHQ-ROUUACIJSA-N 1 0 428.537 0.773 20 0 ICADRO CN1C(=O)CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC001478857297 1070021955 /nfs/dbraw/zinc/02/19/55/1070021955.db2.gz XIMHRKHWOXVXHQ-ZWKOTPCHSA-N 1 0 428.537 0.773 20 0 ICADRO CN1CC[NH+](CC2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)CC1 ZINC001478860573 1070021980 /nfs/dbraw/zinc/02/19/80/1070021980.db2.gz CFRIPNKNHZUFGQ-GOSISDBHSA-N 1 0 436.578 0.890 20 0 ICADRO CN1CC[NH+](CC2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)CC1 ZINC001478860574 1070021939 /nfs/dbraw/zinc/02/19/39/1070021939.db2.gz CFRIPNKNHZUFGQ-SFHVURJKSA-N 1 0 436.578 0.890 20 0 ICADRO CC(C)C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC001478868103 1070023095 /nfs/dbraw/zinc/02/30/95/1070023095.db2.gz BUCZYXJOGKYQKF-IBGZPJMESA-N 1 0 432.569 0.906 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)CC1 ZINC001478869436 1070023237 /nfs/dbraw/zinc/02/32/37/1070023237.db2.gz ZDUMXUDDOZMZLE-SFHVURJKSA-N 1 0 425.574 0.456 20 0 ICADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001478886973 1070025056 /nfs/dbraw/zinc/02/50/56/1070025056.db2.gz IVHRMAXCFQBPSN-QXSJWSMHSA-N 1 0 430.571 0.755 20 0 ICADRO 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/nfs/dbraw/zinc/06/25/21/1070062521.db2.gz CMQFEMJGMDBXES-PMACEKPBSA-N 1 0 436.601 0.570 20 0 ICADRO CC(C)CN1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177803 1070062348 /nfs/dbraw/zinc/06/23/48/1070062348.db2.gz CMQFEMJGMDBXES-UXHICEINSA-N 1 0 436.601 0.570 20 0 ICADRO CC(C)CN1C[C@H]2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177806 1070062651 /nfs/dbraw/zinc/06/26/51/1070062651.db2.gz CMQFEMJGMDBXES-VQTJNVASSA-N 1 0 436.601 0.570 20 0 ICADRO CC(C)CN1C[C@H]2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177807 1070062219 /nfs/dbraw/zinc/06/22/19/1070062219.db2.gz CMQFEMJGMDBXES-WOJBJXKFSA-N 1 0 436.601 0.570 20 0 ICADRO O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001479177828 1070063429 /nfs/dbraw/zinc/06/34/29/1070063429.db2.gz CWCKZVVOWBZLHP-HRVKUGKESA-N 1 0 428.599 0.438 20 0 ICADRO O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001479177829 1070063772 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/nfs/dbraw/zinc/06/34/90/1070063490.db2.gz RBNPXBVKLATFGC-IBGZPJMESA-N 1 0 430.553 0.346 20 0 ICADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001479178318 1070063156 /nfs/dbraw/zinc/06/31/56/1070063156.db2.gz RBNPXBVKLATFGC-LJQANCHMSA-N 1 0 430.553 0.346 20 0 ICADRO COc1ccc(CNC(=O)CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001479178541 1070063386 /nfs/dbraw/zinc/06/33/86/1070063386.db2.gz XQWVBELQGWBTHM-IBGZPJMESA-N 1 0 433.553 0.407 20 0 ICADRO COc1ccc(CNC(=O)CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001479178542 1070063286 /nfs/dbraw/zinc/06/32/86/1070063286.db2.gz XQWVBELQGWBTHM-LJQANCHMSA-N 1 0 433.553 0.407 20 0 ICADRO O=C(Cc1ccccc1)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001479178684 1070063105 /nfs/dbraw/zinc/06/31/05/1070063105.db2.gz OBHRUYJNQYOFOM-JOCHJYFZSA-N 1 0 443.592 0.880 20 0 ICADRO O=C(Cc1ccccc1)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001479178685 1070063739 /nfs/dbraw/zinc/06/37/39/1070063739.db2.gz OBHRUYJNQYOFOM-QFIPXVFZSA-N 1 0 443.592 0.880 20 0 ICADRO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179122 1070063645 /nfs/dbraw/zinc/06/36/45/1070063645.db2.gz SRPLLMWPZWCAMB-DBAFAGGRSA-N 1 0 438.569 0.583 20 0 ICADRO COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179123 1070063331 /nfs/dbraw/zinc/06/33/31/1070063331.db2.gz SRPLLMWPZWCAMB-IDPGXWOASA-N 1 0 438.569 0.583 20 0 ICADRO COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179124 1070063211 /nfs/dbraw/zinc/06/32/11/1070063211.db2.gz SRPLLMWPZWCAMB-KLOMGHIOSA-N 1 0 438.569 0.583 20 0 ICADRO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179125 1070063701 /nfs/dbraw/zinc/06/37/01/1070063701.db2.gz SRPLLMWPZWCAMB-LECRGTDLSA-N 1 0 438.569 0.583 20 0 ICADRO Cn1ccn2c(CNC(=O)N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)nnc2c1=O ZINC001479180569 1070064285 /nfs/dbraw/zinc/06/42/85/1070064285.db2.gz GQVFGDZISOLJDT-UHFFFAOYSA-N 1 0 446.556 0.054 20 0 ICADRO CNS(=O)(=O)N1CCN(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001479187802 1070064398 /nfs/dbraw/zinc/06/43/98/1070064398.db2.gz YANONSLWVACNAZ-UHFFFAOYSA-N 1 0 439.582 0.195 20 0 ICADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)NCc3nnc4n3CCNC4=O)cc2)C[C@H](C)O1 ZINC001479191400 1070065386 /nfs/dbraw/zinc/06/53/86/1070065386.db2.gz QAYLWAQLGGTJKI-IYBDPMFKSA-N 1 0 441.536 0.972 20 0 ICADRO COCCN(CC[NH+](C)C)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479243489 1070068247 /nfs/dbraw/zinc/06/82/47/1070068247.db2.gz JJUVQBZUHZRLMV-UHFFFAOYSA-N 1 0 425.534 0.790 20 0 ICADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)NCC2(S(N)(=O)=O)CC2)CC1 ZINC001479246953 1070068133 /nfs/dbraw/zinc/06/81/33/1070068133.db2.gz NHMVMPDBASMSMQ-UHFFFAOYSA-N 1 0 447.602 0.830 20 0 ICADRO C[C@@H]1CN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@@H](C)C[N@@H+]1CCO ZINC001479248502 1070068185 /nfs/dbraw/zinc/06/81/85/1070068185.db2.gz HZBQBQKEMJLKKO-CABCVRRESA-N 1 0 437.545 0.666 20 0 ICADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248510 1070067803 /nfs/dbraw/zinc/06/78/03/1070067803.db2.gz HZBQBQKEMJLKKO-GJZGRUSLSA-N 1 0 437.545 0.666 20 0 ICADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248518 1070068286 /nfs/dbraw/zinc/06/82/86/1070068286.db2.gz HZBQBQKEMJLKKO-HUUCEWRRSA-N 1 0 437.545 0.666 20 0 ICADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248521 1070067972 /nfs/dbraw/zinc/06/79/72/1070067972.db2.gz HZBQBQKEMJLKKO-LSDHHAIUSA-N 1 0 437.545 0.666 20 0 ICADRO CCO[C@H](CNC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C[NH+](C)C ZINC001479266253 1070067915 /nfs/dbraw/zinc/06/79/15/1070067915.db2.gz DFHWKXKZBKDGKW-GOSISDBHSA-N 1 0 427.571 0.856 20 0 ICADRO CCO[C@@H](CNC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C[NH+](C)C ZINC001479266257 1070067935 /nfs/dbraw/zinc/06/79/35/1070067935.db2.gz DFHWKXKZBKDGKW-SFHVURJKSA-N 1 0 427.571 0.856 20 0 ICADRO CCO[C@@H](CNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)C[NH+](C)C ZINC001479266915 1070068028 /nfs/dbraw/zinc/06/80/28/1070068028.db2.gz HOGCPIHHYJENBF-KRWDZBQOSA-N 1 0 440.566 0.524 20 0 ICADRO CCO[C@H](CNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)C[NH+](C)C ZINC001479266921 1070068527 /nfs/dbraw/zinc/06/85/27/1070068527.db2.gz HOGCPIHHYJENBF-QGZVFWFLSA-N 1 0 440.566 0.524 20 0 ICADRO CCO[C@H](CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C[NH+](C)C ZINC001479267554 1070068508 /nfs/dbraw/zinc/06/85/08/1070068508.db2.gz KEFGZAUEGYRMHD-GDBMZVCRSA-N 1 0 427.546 0.473 20 0 ICADRO CCO[C@H](CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C[NH+](C)C ZINC001479267555 1070068680 /nfs/dbraw/zinc/06/86/80/1070068680.db2.gz KEFGZAUEGYRMHD-GOEBONIOSA-N 1 0 427.546 0.473 20 0 ICADRO CCO[C@@H](CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C[NH+](C)C ZINC001479267556 1070068738 /nfs/dbraw/zinc/06/87/38/1070068738.db2.gz KEFGZAUEGYRMHD-HOCLYGCPSA-N 1 0 427.546 0.473 20 0 ICADRO CCO[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C[NH+](C)C ZINC001479267557 1070068641 /nfs/dbraw/zinc/06/86/41/1070068641.db2.gz KEFGZAUEGYRMHD-ZBFHGGJFSA-N 1 0 427.546 0.473 20 0 ICADRO CCO[C@H](CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+](C)C ZINC001479268838 1070068755 /nfs/dbraw/zinc/06/87/55/1070068755.db2.gz SMDODNQXWYZYKK-MOPGFXCFSA-N 1 0 449.600 0.518 20 0 ICADRO CCO[C@@H](CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+](C)C ZINC001479268839 1070068661 /nfs/dbraw/zinc/06/86/61/1070068661.db2.gz SMDODNQXWYZYKK-OALUTQOASA-N 1 0 449.600 0.518 20 0 ICADRO CCO[C@@H](CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+](C)C ZINC001479268840 1070068446 /nfs/dbraw/zinc/06/84/46/1070068446.db2.gz SMDODNQXWYZYKK-RBUKOAKNSA-N 1 0 449.600 0.518 20 0 ICADRO CCO[C@H](CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+](C)C ZINC001479268841 1070068719 /nfs/dbraw/zinc/06/87/19/1070068719.db2.gz SMDODNQXWYZYKK-RTBURBONSA-N 1 0 449.600 0.518 20 0 ICADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001479279304 1070069763 /nfs/dbraw/zinc/06/97/63/1070069763.db2.gz NUVOIFDZOAZKLR-KRWDZBQOSA-N 1 0 433.553 0.248 20 0 ICADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001479279305 1070069445 /nfs/dbraw/zinc/06/94/45/1070069445.db2.gz NUVOIFDZOAZKLR-QGZVFWFLSA-N 1 0 433.553 0.248 20 0 ICADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC001479279634 1070069712 /nfs/dbraw/zinc/06/97/12/1070069712.db2.gz SIJIKFALIDQSEP-UHFFFAOYSA-N 1 0 446.596 0.477 20 0 ICADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001479281234 1070070108 /nfs/dbraw/zinc/07/01/08/1070070108.db2.gz CHCJTDSIFJTHPU-UHFFFAOYSA-N 1 0 431.537 0.173 20 0 ICADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001479284336 1070071179 /nfs/dbraw/zinc/07/11/79/1070071179.db2.gz SGOOEBWQJKNLPW-QGZVFWFLSA-N 1 0 431.537 0.314 20 0 ICADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001479284793 1070071412 /nfs/dbraw/zinc/07/14/12/1070071412.db2.gz KGLVRFMQNIZJBD-HNNXBMFYSA-N 1 0 425.555 0.339 20 0 ICADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001479284794 1070071479 /nfs/dbraw/zinc/07/14/79/1070071479.db2.gz KGLVRFMQNIZJBD-OAHLLOKOSA-N 1 0 425.555 0.339 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001479292233 1070073652 /nfs/dbraw/zinc/07/36/52/1070073652.db2.gz AJEGFSYSFDJCED-UHFFFAOYSA-N 1 0 447.602 0.652 20 0 ICADRO CNC(=O)NC[C@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC001479292245 1070073312 /nfs/dbraw/zinc/07/33/12/1070073312.db2.gz APFHEYGFCMLIKT-INIZCTEOSA-N 1 0 442.561 0.315 20 0 ICADRO CNC(=O)NC[C@@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC001479292252 1070073430 /nfs/dbraw/zinc/07/34/30/1070073430.db2.gz APFHEYGFCMLIKT-MRXNPFEDSA-N 1 0 442.561 0.315 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001479293398 1070073579 /nfs/dbraw/zinc/07/35/79/1070073579.db2.gz JISOIQNPDRWEIW-HZPDHXFCSA-N 1 0 425.530 0.274 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCC2(OCCO)CCOCC2)CC1 ZINC001479295116 1070073776 /nfs/dbraw/zinc/07/37/76/1070073776.db2.gz XRMOHGIMRXTOGI-UHFFFAOYSA-N 1 0 444.573 0.833 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCN([S@@](C)(=N)=O)CC2)CC1 ZINC001479295391 1070073533 /nfs/dbraw/zinc/07/35/33/1070073533.db2.gz YFIZWOUANACYQH-GDLZYMKVSA-N 1 0 432.591 0.894 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCN([S@](C)(=N)=O)CC2)CC1 ZINC001479295398 1070073898 /nfs/dbraw/zinc/07/38/98/1070073898.db2.gz YFIZWOUANACYQH-LJAQVGFWSA-N 1 0 432.591 0.894 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC001479296607 1070073720 /nfs/dbraw/zinc/07/37/20/1070073720.db2.gz GHQCSCVOORBSQG-UHFFFAOYSA-N 1 0 438.529 0.627 20 0 ICADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC001479315217 1070074850 /nfs/dbraw/zinc/07/48/50/1070074850.db2.gz AYFHBAONYSJOQX-BZSNNMDCSA-N 1 0 427.615 0.435 20 0 ICADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC001479315223 1070075286 /nfs/dbraw/zinc/07/52/86/1070075286.db2.gz AYFHBAONYSJOQX-KSZLIROESA-N 1 0 427.615 0.435 20 0 ICADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC001479315227 1070075104 /nfs/dbraw/zinc/07/51/04/1070075104.db2.gz AYFHBAONYSJOQX-OKZBNKHCSA-N 1 0 427.615 0.435 20 0 ICADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC001479315232 1070074790 /nfs/dbraw/zinc/07/47/90/1070074790.db2.gz AYFHBAONYSJOQX-RCCFBDPRSA-N 1 0 427.615 0.435 20 0 ICADRO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)cc1 ZINC001479316625 1070074967 /nfs/dbraw/zinc/07/49/67/1070074967.db2.gz GMNAWZAVSRQQEB-MSOLQXFVSA-N 1 0 439.607 0.745 20 0 ICADRO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)cc1 ZINC001479316630 1070074709 /nfs/dbraw/zinc/07/47/09/1070074709.db2.gz GMNAWZAVSRQQEB-QZTJIDSGSA-N 1 0 439.607 0.745 20 0 ICADRO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)cc1 ZINC001479316635 1070075225 /nfs/dbraw/zinc/07/52/25/1070075225.db2.gz GMNAWZAVSRQQEB-ROUUACIJSA-N 1 0 439.607 0.745 20 0 ICADRO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)cc1 ZINC001479316638 1070075367 /nfs/dbraw/zinc/07/53/67/1070075367.db2.gz GMNAWZAVSRQQEB-ZWKOTPCHSA-N 1 0 439.607 0.745 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001479349721 1070077609 /nfs/dbraw/zinc/07/76/09/1070077609.db2.gz IDUMUCZTNYMUBI-QFBILLFUSA-N 1 0 425.480 0.898 20 0 ICADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357194 1070077878 /nfs/dbraw/zinc/07/78/78/1070077878.db2.gz JUEROLQRXZNOGU-HNNXBMFYSA-N 1 0 425.621 0.101 20 0 ICADRO 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ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493796214 1070116122 /nfs/dbraw/zinc/11/61/22/1070116122.db2.gz KITNWRQUAVZEII-YVSFHVDLSA-N 1 0 428.603 0.827 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493804434 1070116333 /nfs/dbraw/zinc/11/63/33/1070116333.db2.gz FWHDQDYODJLDMA-BRWVUGGUSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493804436 1070116219 /nfs/dbraw/zinc/11/62/19/1070116219.db2.gz FWHDQDYODJLDMA-IKGGRYGDSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493804438 1070116142 /nfs/dbraw/zinc/11/61/42/1070116142.db2.gz FWHDQDYODJLDMA-IXDOHACOSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493804440 1070116456 /nfs/dbraw/zinc/11/64/56/1070116456.db2.gz FWHDQDYODJLDMA-ZACQAIPSSA-N 1 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0.832 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806108 1070117289 /nfs/dbraw/zinc/11/72/89/1070117289.db2.gz OSGPQWYZRFGGDG-HOTGVXAUSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806110 1070117179 /nfs/dbraw/zinc/11/71/79/1070117179.db2.gz OSGPQWYZRFGGDG-HZPDHXFCSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806111 1070117257 /nfs/dbraw/zinc/11/72/57/1070117257.db2.gz OSGPQWYZRFGGDG-JKSUJKDBSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807442 1070117242 /nfs/dbraw/zinc/11/72/42/1070117242.db2.gz YUZINPHGBFQARM-DLBZAZTESA-N 1 0 442.586 0.180 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807443 1070117143 /nfs/dbraw/zinc/11/71/43/1070117143.db2.gz YUZINPHGBFQARM-IAGOWNOFSA-N 1 0 442.586 0.180 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807444 1070117091 /nfs/dbraw/zinc/11/70/91/1070117091.db2.gz YUZINPHGBFQARM-IRXDYDNUSA-N 1 0 442.586 0.180 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807445 1070117316 /nfs/dbraw/zinc/11/73/16/1070117316.db2.gz YUZINPHGBFQARM-SJORKVTESA-N 1 0 442.586 0.180 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001493807522 1070117221 /nfs/dbraw/zinc/11/72/21/1070117221.db2.gz ZTYQONPCYRGTQN-INIZCTEOSA-N 1 0 430.557 0.881 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001493807523 1070117046 /nfs/dbraw/zinc/11/70/46/1070117046.db2.gz ZTYQONPCYRGTQN-MRXNPFEDSA-N 1 0 430.557 0.881 20 0 ICADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846816 1070117872 /nfs/dbraw/zinc/11/78/72/1070117872.db2.gz XYCNBOBNSHGZIR-CVEARBPZSA-N 1 0 439.586 0.185 20 0 ICADRO C[C@H]1CCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846817 1070118037 /nfs/dbraw/zinc/11/80/37/1070118037.db2.gz XYCNBOBNSHGZIR-HOTGVXAUSA-N 1 0 439.586 0.185 20 0 ICADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846818 1070117945 /nfs/dbraw/zinc/11/79/45/1070117945.db2.gz XYCNBOBNSHGZIR-HZPDHXFCSA-N 1 0 439.586 0.185 20 0 ICADRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846819 1070118114 /nfs/dbraw/zinc/11/81/14/1070118114.db2.gz XYCNBOBNSHGZIR-JKSUJKDBSA-N 1 0 439.586 0.185 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCC(C)CC1 ZINC001493862472 1070117968 /nfs/dbraw/zinc/11/79/68/1070117968.db2.gz BPOVFWHFELYHEI-MSOLQXFVSA-N 1 0 447.584 0.645 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCC(C)CC1 ZINC001493862473 1070118092 /nfs/dbraw/zinc/11/80/92/1070118092.db2.gz BPOVFWHFELYHEI-QZTJIDSGSA-N 1 0 447.584 0.645 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCC(C)CC1 ZINC001493862474 1070118107 /nfs/dbraw/zinc/11/81/07/1070118107.db2.gz BPOVFWHFELYHEI-ROUUACIJSA-N 1 0 447.584 0.645 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCC(C)CC1 ZINC001493862475 1070117922 /nfs/dbraw/zinc/11/79/22/1070117922.db2.gz BPOVFWHFELYHEI-ZWKOTPCHSA-N 1 0 447.584 0.645 20 0 ICADRO C[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001493875833 1070117994 /nfs/dbraw/zinc/11/79/94/1070117994.db2.gz YUMZOOIZAAOPHD-DLBZAZTESA-N 1 0 431.585 0.843 20 0 ICADRO C[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001493875836 1070117908 /nfs/dbraw/zinc/11/79/08/1070117908.db2.gz YUMZOOIZAAOPHD-IAGOWNOFSA-N 1 0 431.585 0.843 20 0 ICADRO C[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001493875842 1070117838 /nfs/dbraw/zinc/11/78/38/1070117838.db2.gz YUMZOOIZAAOPHD-IRXDYDNUSA-N 1 0 431.585 0.843 20 0 ICADRO C[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001493875843 1070119008 /nfs/dbraw/zinc/11/90/08/1070119008.db2.gz YUMZOOIZAAOPHD-SJORKVTESA-N 1 0 431.585 0.843 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001493882228 1070118784 /nfs/dbraw/zinc/11/87/84/1070118784.db2.gz CXSFHYKFIKHBDX-CVEARBPZSA-N 1 0 427.619 0.761 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001493882238 1070118950 /nfs/dbraw/zinc/11/89/50/1070118950.db2.gz CXSFHYKFIKHBDX-HOTGVXAUSA-N 1 0 427.619 0.761 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001493882242 1070118887 /nfs/dbraw/zinc/11/88/87/1070118887.db2.gz CXSFHYKFIKHBDX-HZPDHXFCSA-N 1 0 427.619 0.761 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001493882244 1070118993 /nfs/dbraw/zinc/11/89/93/1070118993.db2.gz CXSFHYKFIKHBDX-JKSUJKDBSA-N 1 0 427.619 0.761 20 0 ICADRO C[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)C1 ZINC001493977836 1070121610 /nfs/dbraw/zinc/12/16/10/1070121610.db2.gz WFXCCOOYZXZTSX-DLBZAZTESA-N 1 0 426.587 0.943 20 0 ICADRO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)C1 ZINC001493977837 1070121528 /nfs/dbraw/zinc/12/15/28/1070121528.db2.gz WFXCCOOYZXZTSX-IAGOWNOFSA-N 1 0 426.587 0.943 20 0 ICADRO C[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)C1 ZINC001493977838 1070121663 /nfs/dbraw/zinc/12/16/63/1070121663.db2.gz WFXCCOOYZXZTSX-IRXDYDNUSA-N 1 0 426.587 0.943 20 0 ICADRO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)C1 ZINC001493977839 1070121566 /nfs/dbraw/zinc/12/15/66/1070121566.db2.gz WFXCCOOYZXZTSX-SJORKVTESA-N 1 0 426.587 0.943 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1nnn(C)n1 ZINC001494038644 1070121543 /nfs/dbraw/zinc/12/15/43/1070121543.db2.gz KKGRQRZEYJEADB-KRWDZBQOSA-N 1 0 444.588 0.936 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1nnn(C)n1 ZINC001494038645 1070122582 /nfs/dbraw/zinc/12/25/82/1070122582.db2.gz KKGRQRZEYJEADB-QGZVFWFLSA-N 1 0 444.588 0.936 20 0 ICADRO CC1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001494051520 1070122558 /nfs/dbraw/zinc/12/25/58/1070122558.db2.gz PXZQYHCQTIMZLV-KRWDZBQOSA-N 1 0 438.598 0.976 20 0 ICADRO CC1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001494051521 1070122350 /nfs/dbraw/zinc/12/23/50/1070122350.db2.gz PXZQYHCQTIMZLV-QGZVFWFLSA-N 1 0 438.598 0.976 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494056282 1070122340 /nfs/dbraw/zinc/12/23/40/1070122340.db2.gz XMTZXIGOMFTPPE-INIZCTEOSA-N 1 0 441.602 0.337 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494056296 1070122323 /nfs/dbraw/zinc/12/23/23/1070122323.db2.gz XMTZXIGOMFTPPE-MRXNPFEDSA-N 1 0 441.602 0.337 20 0 ICADRO CC1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001494056442 1070122544 /nfs/dbraw/zinc/12/25/44/1070122544.db2.gz YWEBAXXEVGQRCC-UHFFFAOYSA-N 1 0 438.598 0.871 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001494064776 1070122532 /nfs/dbraw/zinc/12/25/32/1070122532.db2.gz SEARUABHJGPJIH-GOSISDBHSA-N 1 0 447.584 0.646 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001494064777 1070122592 /nfs/dbraw/zinc/12/25/92/1070122592.db2.gz SEARUABHJGPJIH-SFHVURJKSA-N 1 0 447.584 0.646 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001494064842 1070122376 /nfs/dbraw/zinc/12/23/76/1070122376.db2.gz UTNWRMBPFOOYRA-DLBZAZTESA-N 1 0 438.598 0.614 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001494064843 1070122563 /nfs/dbraw/zinc/12/25/63/1070122563.db2.gz UTNWRMBPFOOYRA-IAGOWNOFSA-N 1 0 438.598 0.614 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001494064844 1070122573 /nfs/dbraw/zinc/12/25/73/1070122573.db2.gz UTNWRMBPFOOYRA-IRXDYDNUSA-N 1 0 438.598 0.614 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001494064845 1070122294 /nfs/dbraw/zinc/12/22/94/1070122294.db2.gz UTNWRMBPFOOYRA-SJORKVTESA-N 1 0 438.598 0.614 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001494064983 1070122517 /nfs/dbraw/zinc/12/25/17/1070122517.db2.gz YLYPVBDGFGENCF-KRWDZBQOSA-N 1 0 438.598 0.581 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001494064984 1070122497 /nfs/dbraw/zinc/12/24/97/1070122497.db2.gz YLYPVBDGFGENCF-QGZVFWFLSA-N 1 0 438.598 0.581 20 0 ICADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001494079774 1070122393 /nfs/dbraw/zinc/12/23/93/1070122393.db2.gz DKAKYKFTFOEVKL-INIZCTEOSA-N 1 0 439.586 0.043 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001494079778 1070122587 /nfs/dbraw/zinc/12/25/87/1070122587.db2.gz DKAKYKFTFOEVKL-MRXNPFEDSA-N 1 0 439.586 0.043 20 0 ICADRO CC1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001494082654 1070122478 /nfs/dbraw/zinc/12/24/78/1070122478.db2.gz PJTZHXIGRDKJFT-UHFFFAOYSA-N 1 0 448.597 0.985 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001494082761 1070122426 /nfs/dbraw/zinc/12/24/26/1070122426.db2.gz QWKIWKOSHOZFCC-ROUUACIJSA-N 1 0 440.614 0.984 20 0 ICADRO CC1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001494082762 1070123474 /nfs/dbraw/zinc/12/34/74/1070123474.db2.gz QWKIWKOSHOZFCC-ZWKOTPCHSA-N 1 0 440.614 0.984 20 0 ICADRO CC1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)CCN2CCOCC2)CC1 ZINC001494087641 1070123418 /nfs/dbraw/zinc/12/34/18/1070123418.db2.gz QOUKYBQEGUVQTE-UHFFFAOYSA-N 1 0 433.601 0.901 20 0 ICADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001494095909 1070123562 /nfs/dbraw/zinc/12/35/62/1070123562.db2.gz LNGIGINZUIDUQP-HOTGVXAUSA-N 1 0 430.557 0.893 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 ZINC001494095910 1070123530 /nfs/dbraw/zinc/12/35/30/1070123530.db2.gz LNGIGINZUIDUQP-HZPDHXFCSA-N 1 0 430.557 0.893 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001494096017 1070123576 /nfs/dbraw/zinc/12/35/76/1070123576.db2.gz LNGIGINZUIDUQP-IYBDPMFKSA-N 1 0 430.557 0.893 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001494097748 1070123368 /nfs/dbraw/zinc/12/33/68/1070123368.db2.gz WHBVDRDEUNEWAZ-BZUAXINKSA-N 1 0 433.557 0.395 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001494097749 1070123502 /nfs/dbraw/zinc/12/35/02/1070123502.db2.gz WHBVDRDEUNEWAZ-OAGGEKHMSA-N 1 0 433.557 0.395 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001494097750 1070123554 /nfs/dbraw/zinc/12/35/54/1070123554.db2.gz WHBVDRDEUNEWAZ-OWCLPIDISA-N 1 0 433.557 0.395 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001494097751 1070123291 /nfs/dbraw/zinc/12/32/91/1070123291.db2.gz WHBVDRDEUNEWAZ-XHSDSOJGSA-N 1 0 433.557 0.395 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001494098131 1070123452 /nfs/dbraw/zinc/12/34/52/1070123452.db2.gz ZJNGGIHRWHXBLU-NCOADZHNSA-N 1 0 447.584 0.819 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098132 1070123327 /nfs/dbraw/zinc/12/33/27/1070123327.db2.gz ZJNGGIHRWHXBLU-TWMKSMIVSA-N 1 0 447.584 0.819 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001494098133 1070123519 /nfs/dbraw/zinc/12/35/19/1070123519.db2.gz ZJNGGIHRWHXBLU-VQHPVUNQSA-N 1 0 447.584 0.819 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098134 1070123486 /nfs/dbraw/zinc/12/34/86/1070123486.db2.gz ZJNGGIHRWHXBLU-YVSFHVDLSA-N 1 0 447.584 0.819 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098303 1070123384 /nfs/dbraw/zinc/12/33/84/1070123384.db2.gz FXVVMWADSGJXEC-BBWFWOEESA-N 1 0 447.584 0.600 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001494098305 1070124343 /nfs/dbraw/zinc/12/43/43/1070124343.db2.gz FXVVMWADSGJXEC-BRWVUGGUSA-N 1 0 447.584 0.600 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098308 1070124354 /nfs/dbraw/zinc/12/43/54/1070124354.db2.gz FXVVMWADSGJXEC-IXDOHACOSA-N 1 0 447.584 0.600 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001494098310 1070124221 /nfs/dbraw/zinc/12/42/21/1070124221.db2.gz FXVVMWADSGJXEC-ZACQAIPSSA-N 1 0 447.584 0.600 20 0 ICADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001494098570 1070124313 /nfs/dbraw/zinc/12/43/13/1070124313.db2.gz IJNZYCHTXKETCY-HOTGVXAUSA-N 1 0 433.557 0.225 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001494098571 1070124178 /nfs/dbraw/zinc/12/41/78/1070124178.db2.gz IJNZYCHTXKETCY-HZPDHXFCSA-N 1 0 433.557 0.225 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001494098572 1070124253 /nfs/dbraw/zinc/12/42/53/1070124253.db2.gz IJNZYCHTXKETCY-IYBDPMFKSA-N 1 0 433.557 0.225 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC[NH+](C)C ZINC001494108708 1070125037 /nfs/dbraw/zinc/12/50/37/1070125037.db2.gz WLKHYTAVGKHGMB-INIZCTEOSA-N 1 0 444.536 0.961 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC[NH+](C)C ZINC001494108715 1070124978 /nfs/dbraw/zinc/12/49/78/1070124978.db2.gz WLKHYTAVGKHGMB-MRXNPFEDSA-N 1 0 444.536 0.961 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001494112193 1070125110 /nfs/dbraw/zinc/12/51/10/1070125110.db2.gz AWUFZHVFONBPKM-AEFFLSMTSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001494112197 1070125119 /nfs/dbraw/zinc/12/51/19/1070125119.db2.gz AWUFZHVFONBPKM-FUHWJXTLSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001494112199 1070125103 /nfs/dbraw/zinc/12/51/03/1070125103.db2.gz AWUFZHVFONBPKM-SJLPKXTDSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001494112201 1070125046 /nfs/dbraw/zinc/12/50/46/1070125046.db2.gz AWUFZHVFONBPKM-WMZOPIPTSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001494118522 1070126616 /nfs/dbraw/zinc/12/66/16/1070126616.db2.gz CYIZBLUUPQNWTF-DLBZAZTESA-N 1 0 438.598 0.723 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001494118523 1070126758 /nfs/dbraw/zinc/12/67/58/1070126758.db2.gz CYIZBLUUPQNWTF-IAGOWNOFSA-N 1 0 438.598 0.723 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001494118525 1070126669 /nfs/dbraw/zinc/12/66/69/1070126669.db2.gz CYIZBLUUPQNWTF-IRXDYDNUSA-N 1 0 438.598 0.723 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001494118526 1070126727 /nfs/dbraw/zinc/12/67/27/1070126727.db2.gz CYIZBLUUPQNWTF-SJORKVTESA-N 1 0 438.598 0.723 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001494120125 1070127605 /nfs/dbraw/zinc/12/76/05/1070127605.db2.gz MTWNVUCTQKAXPT-GOSISDBHSA-N 1 0 440.596 0.957 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001494120126 1070127692 /nfs/dbraw/zinc/12/76/92/1070127692.db2.gz MTWNVUCTQKAXPT-SFHVURJKSA-N 1 0 440.596 0.957 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001494122068 1070128318 /nfs/dbraw/zinc/12/83/18/1070128318.db2.gz ZFTJSGHPWBGLSA-CVEARBPZSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001494122069 1070128453 /nfs/dbraw/zinc/12/84/53/1070128453.db2.gz ZFTJSGHPWBGLSA-HOTGVXAUSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001494122070 1070128510 /nfs/dbraw/zinc/12/85/10/1070128510.db2.gz ZFTJSGHPWBGLSA-HZPDHXFCSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001494122071 1070128242 /nfs/dbraw/zinc/12/82/42/1070128242.db2.gz ZFTJSGHPWBGLSA-JKSUJKDBSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1CCOCC[NH+](C)C ZINC001494126744 1070128582 /nfs/dbraw/zinc/12/85/82/1070128582.db2.gz DJHZPGKOORWRGA-HNNXBMFYSA-N 1 0 449.581 0.515 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1CCOCC[NH+](C)C ZINC001494126746 1070128298 /nfs/dbraw/zinc/12/82/98/1070128298.db2.gz DJHZPGKOORWRGA-OAHLLOKOSA-N 1 0 449.581 0.515 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCOCC1 ZINC001494127203 1070129087 /nfs/dbraw/zinc/12/90/87/1070129087.db2.gz FGBWPWLARYDFMY-INIZCTEOSA-N 1 0 433.557 0.178 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCOCC1 ZINC001494127204 1070129125 /nfs/dbraw/zinc/12/91/25/1070129125.db2.gz FGBWPWLARYDFMY-MRXNPFEDSA-N 1 0 433.557 0.178 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCS(C)(=O)=O ZINC001494139287 1070130671 /nfs/dbraw/zinc/13/06/71/1070130671.db2.gz HVHVUTMHQKTOOL-HNNXBMFYSA-N 1 0 426.587 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCS(C)(=O)=O ZINC001494139288 1070130895 /nfs/dbraw/zinc/13/08/95/1070130895.db2.gz HVHVUTMHQKTOOL-OAHLLOKOSA-N 1 0 426.587 0.772 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(=O)N(C)C ZINC001494191594 1070133979 /nfs/dbraw/zinc/13/39/79/1070133979.db2.gz KJXVITAPFMDGSY-CABCVRRESA-N 1 0 441.602 0.287 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(=O)N(C)C ZINC001494191596 1070134018 /nfs/dbraw/zinc/13/40/18/1070134018.db2.gz KJXVITAPFMDGSY-GJZGRUSLSA-N 1 0 441.602 0.287 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(=O)N(C)C ZINC001494191598 1070134076 /nfs/dbraw/zinc/13/40/76/1070134076.db2.gz KJXVITAPFMDGSY-HUUCEWRRSA-N 1 0 441.602 0.287 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(=O)N(C)C ZINC001494192205 1070133880 /nfs/dbraw/zinc/13/38/80/1070133880.db2.gz KJXVITAPFMDGSY-LSDHHAIUSA-N 1 0 441.602 0.287 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001494193103 1070135068 /nfs/dbraw/zinc/13/50/68/1070135068.db2.gz MRWIIZNUUZPDMC-BRWVUGGUSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001494193106 1070134942 /nfs/dbraw/zinc/13/49/42/1070134942.db2.gz MRWIIZNUUZPDMC-IKGGRYGDSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001494193108 1070134961 /nfs/dbraw/zinc/13/49/61/1070134961.db2.gz MRWIIZNUUZPDMC-IXDOHACOSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001494193110 1070135047 /nfs/dbraw/zinc/13/50/47/1070135047.db2.gz MRWIIZNUUZPDMC-ZACQAIPSSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001494193927 1070134987 /nfs/dbraw/zinc/13/49/87/1070134987.db2.gz OVISEJYSSCDHPG-ARFHVFGLSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001494193928 1070135017 /nfs/dbraw/zinc/13/50/17/1070135017.db2.gz OVISEJYSSCDHPG-BZUAXINKSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001494193929 1070134932 /nfs/dbraw/zinc/13/49/32/1070134932.db2.gz OVISEJYSSCDHPG-OAGGEKHMSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001494193930 1070134901 /nfs/dbraw/zinc/13/49/01/1070134901.db2.gz OVISEJYSSCDHPG-XHSDSOJGSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001494194275 1070135442 /nfs/dbraw/zinc/13/54/42/1070135442.db2.gz UYKAEAPKSRHNNF-CVEARBPZSA-N 1 0 444.602 0.614 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001494194276 1070135563 /nfs/dbraw/zinc/13/55/63/1070135563.db2.gz UYKAEAPKSRHNNF-HOTGVXAUSA-N 1 0 444.602 0.614 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001494194277 1070135616 /nfs/dbraw/zinc/13/56/16/1070135616.db2.gz UYKAEAPKSRHNNF-HZPDHXFCSA-N 1 0 444.602 0.614 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001494194278 1070135394 /nfs/dbraw/zinc/13/53/94/1070135394.db2.gz UYKAEAPKSRHNNF-JKSUJKDBSA-N 1 0 444.602 0.614 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001494203659 1070137985 /nfs/dbraw/zinc/13/79/85/1070137985.db2.gz YPYUNZJLGNVXDS-BZUAXINKSA-N 1 0 444.602 0.349 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001494203661 1070137996 /nfs/dbraw/zinc/13/79/96/1070137996.db2.gz YPYUNZJLGNVXDS-OAGGEKHMSA-N 1 0 444.602 0.349 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001494203663 1070138186 /nfs/dbraw/zinc/13/81/86/1070138186.db2.gz YPYUNZJLGNVXDS-OWCLPIDISA-N 1 0 444.602 0.349 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001494203665 1070138004 /nfs/dbraw/zinc/13/80/04/1070138004.db2.gz YPYUNZJLGNVXDS-XHSDSOJGSA-N 1 0 444.602 0.349 20 0 ICADRO C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC[NH+](C)C)CC(=O)N1C ZINC001494253611 1070139501 /nfs/dbraw/zinc/13/95/01/1070139501.db2.gz SBDMNIRFCIIDOP-INIZCTEOSA-N 1 0 444.536 0.961 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC[NH+](C)C)CC(=O)N1C ZINC001494253612 1070139589 /nfs/dbraw/zinc/13/95/89/1070139589.db2.gz SBDMNIRFCIIDOP-MRXNPFEDSA-N 1 0 444.536 0.961 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494301890 1070140597 /nfs/dbraw/zinc/14/05/97/1070140597.db2.gz LCQLQWPEJSUFLP-HACGYAERSA-N 1 0 429.447 0.901 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494301891 1070140314 /nfs/dbraw/zinc/14/03/14/1070140314.db2.gz LCQLQWPEJSUFLP-IFIJOSMWSA-N 1 0 429.447 0.901 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494301892 1070140400 /nfs/dbraw/zinc/14/04/00/1070140400.db2.gz LCQLQWPEJSUFLP-MRRJBJDNSA-N 1 0 429.447 0.901 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494301893 1070140688 /nfs/dbraw/zinc/14/06/88/1070140688.db2.gz LCQLQWPEJSUFLP-SUYBPPKGSA-N 1 0 429.447 0.901 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001494310614 1070141547 /nfs/dbraw/zinc/14/15/47/1070141547.db2.gz HJJHRZYJBQUIDK-HKUYNNGSSA-N 1 0 432.573 0.414 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001494310615 1070141407 /nfs/dbraw/zinc/14/14/07/1070141407.db2.gz HJJHRZYJBQUIDK-IEBWSBKVSA-N 1 0 432.573 0.414 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001494310616 1070141303 /nfs/dbraw/zinc/14/13/03/1070141303.db2.gz HJJHRZYJBQUIDK-MJGOQNOKSA-N 1 0 432.573 0.414 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001494310617 1070141491 /nfs/dbraw/zinc/14/14/91/1070141491.db2.gz HJJHRZYJBQUIDK-PKOBYXMFSA-N 1 0 432.573 0.414 20 0 ICADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001494323269 1070145367 /nfs/dbraw/zinc/14/53/67/1070145367.db2.gz ZURNKUMAWVGRKG-DOTOQJQBSA-N 1 0 438.598 0.975 20 0 ICADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001494323270 1070145329 /nfs/dbraw/zinc/14/53/29/1070145329.db2.gz ZURNKUMAWVGRKG-NVXWUHKLSA-N 1 0 438.598 0.975 20 0 ICADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001494323271 1070145422 /nfs/dbraw/zinc/14/54/22/1070145422.db2.gz ZURNKUMAWVGRKG-RDJZCZTQSA-N 1 0 438.598 0.975 20 0 ICADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001494323272 1070145457 /nfs/dbraw/zinc/14/54/57/1070145457.db2.gz ZURNKUMAWVGRKG-WBVHZDCISA-N 1 0 438.598 0.975 20 0 ICADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001494341753 1070147014 /nfs/dbraw/zinc/14/70/14/1070147014.db2.gz DOQJYSACDWNENW-CVEARBPZSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001494341756 1070147036 /nfs/dbraw/zinc/14/70/36/1070147036.db2.gz DOQJYSACDWNENW-HOTGVXAUSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001494341759 1070147008 /nfs/dbraw/zinc/14/70/08/1070147008.db2.gz DOQJYSACDWNENW-HZPDHXFCSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001494341760 1070147047 /nfs/dbraw/zinc/14/70/47/1070147047.db2.gz DOQJYSACDWNENW-JKSUJKDBSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001494347426 1070149438 /nfs/dbraw/zinc/14/94/38/1070149438.db2.gz SCVOZOUPMOVBHQ-DLBZAZTESA-N 1 0 440.614 0.431 20 0 ICADRO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001494347427 1070149631 /nfs/dbraw/zinc/14/96/31/1070149631.db2.gz SCVOZOUPMOVBHQ-IAGOWNOFSA-N 1 0 440.614 0.431 20 0 ICADRO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001494347428 1070149529 /nfs/dbraw/zinc/14/95/29/1070149529.db2.gz SCVOZOUPMOVBHQ-IRXDYDNUSA-N 1 0 440.614 0.431 20 0 ICADRO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001494347429 1070149667 /nfs/dbraw/zinc/14/96/67/1070149667.db2.gz SCVOZOUPMOVBHQ-SJORKVTESA-N 1 0 440.614 0.431 20 0 ICADRO C[C@H]1CCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360819 1070152013 /nfs/dbraw/zinc/15/20/13/1070152013.db2.gz ARGRYFTTYVZYLL-BBWFWOEESA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360820 1070151819 /nfs/dbraw/zinc/15/18/19/1070151819.db2.gz ARGRYFTTYVZYLL-BRWVUGGUSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360822 1070151956 /nfs/dbraw/zinc/15/19/56/1070151956.db2.gz ARGRYFTTYVZYLL-GVDBMIGSSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360824 1070151793 /nfs/dbraw/zinc/15/17/93/1070151793.db2.gz ARGRYFTTYVZYLL-ZACQAIPSSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CCO1 ZINC001494362124 1070151834 /nfs/dbraw/zinc/15/18/34/1070151834.db2.gz FQXVGMWTDNJHRX-DLBZAZTESA-N 1 0 442.586 0.322 20 0 ICADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CCO1 ZINC001494362125 1070151971 /nfs/dbraw/zinc/15/19/71/1070151971.db2.gz FQXVGMWTDNJHRX-IAGOWNOFSA-N 1 0 442.586 0.322 20 0 ICADRO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CCO1 ZINC001494362126 1070151949 /nfs/dbraw/zinc/15/19/49/1070151949.db2.gz FQXVGMWTDNJHRX-IRXDYDNUSA-N 1 0 442.586 0.322 20 0 ICADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CCO1 ZINC001494362127 1070151743 /nfs/dbraw/zinc/15/17/43/1070151743.db2.gz FQXVGMWTDNJHRX-SJORKVTESA-N 1 0 442.586 0.322 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001494363979 1070151917 /nfs/dbraw/zinc/15/19/17/1070151917.db2.gz LWENWQHPWSOKEM-BBWFWOEESA-N 1 0 444.602 0.565 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001494363980 1070151980 /nfs/dbraw/zinc/15/19/80/1070151980.db2.gz LWENWQHPWSOKEM-BRWVUGGUSA-N 1 0 444.602 0.565 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001494363981 1070151862 /nfs/dbraw/zinc/15/18/62/1070151862.db2.gz LWENWQHPWSOKEM-IXDOHACOSA-N 1 0 444.602 0.565 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001494363982 1070151692 /nfs/dbraw/zinc/15/16/92/1070151692.db2.gz LWENWQHPWSOKEM-ZACQAIPSSA-N 1 0 444.602 0.565 20 0 ICADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001494364092 1070152900 /nfs/dbraw/zinc/15/29/00/1070152900.db2.gz LXUDCKDJJFVBOV-BBWFWOEESA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001494364093 1070152966 /nfs/dbraw/zinc/15/29/66/1070152966.db2.gz LXUDCKDJJFVBOV-BRWVUGGUSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001494364094 1070152994 /nfs/dbraw/zinc/15/29/94/1070152994.db2.gz LXUDCKDJJFVBOV-IXDOHACOSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001494364095 1070152878 /nfs/dbraw/zinc/15/28/78/1070152878.db2.gz LXUDCKDJJFVBOV-ZACQAIPSSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H]2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494519331 1070160101 /nfs/dbraw/zinc/16/01/01/1070160101.db2.gz OIANOIOGSKAJED-BBWFWOEESA-N 1 0 444.602 0.614 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H]2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494519334 1070160457 /nfs/dbraw/zinc/16/04/57/1070160457.db2.gz OIANOIOGSKAJED-BRWVUGGUSA-N 1 0 444.602 0.614 20 0 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CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001494530001 1070161285 /nfs/dbraw/zinc/16/12/85/1070161285.db2.gz MNBLZWZMGQNXJX-ROUUACIJSA-N 1 0 449.600 0.939 20 0 ICADRO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001494530002 1070161211 /nfs/dbraw/zinc/16/12/11/1070161211.db2.gz MNBLZWZMGQNXJX-ZWKOTPCHSA-N 1 0 449.600 0.939 20 0 ICADRO C[C@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494532528 1070161304 /nfs/dbraw/zinc/16/13/04/1070161304.db2.gz XVXHHJKTFXFJRY-DOTOQJQBSA-N 1 0 433.557 0.432 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494532529 1070161167 /nfs/dbraw/zinc/16/11/67/1070161167.db2.gz XVXHHJKTFXFJRY-NVXWUHKLSA-N 1 0 433.557 0.432 20 0 ICADRO C[C@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494532530 1070161188 /nfs/dbraw/zinc/16/11/88/1070161188.db2.gz XVXHHJKTFXFJRY-RDJZCZTQSA-N 1 0 433.557 0.432 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494532531 1070161280 /nfs/dbraw/zinc/16/12/80/1070161280.db2.gz XVXHHJKTFXFJRY-WBVHZDCISA-N 1 0 433.557 0.432 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494532589 1070162295 /nfs/dbraw/zinc/16/22/95/1070162295.db2.gz YVPOTMBSJJHTDI-FGTMMUONSA-N 1 0 441.598 0.906 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494532590 1070162278 /nfs/dbraw/zinc/16/22/78/1070162278.db2.gz YVPOTMBSJJHTDI-KURKYZTESA-N 1 0 441.598 0.906 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494532591 1070161937 /nfs/dbraw/zinc/16/19/37/1070161937.db2.gz YVPOTMBSJJHTDI-KZNAEPCWSA-N 1 0 441.598 0.906 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494532592 1070162093 /nfs/dbraw/zinc/16/20/93/1070162093.db2.gz YVPOTMBSJJHTDI-SQNIBIBYSA-N 1 0 441.598 0.906 20 0 ICADRO 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CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001496315833 1070213126 /nfs/dbraw/zinc/21/31/26/1070213126.db2.gz LJGIGPQACQZMIR-GOSISDBHSA-N 1 0 441.584 0.868 20 0 ICADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001496315834 1070213799 /nfs/dbraw/zinc/21/37/99/1070213799.db2.gz LJGIGPQACQZMIR-SFHVURJKSA-N 1 0 441.584 0.868 20 0 ICADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001496318444 1070214548 /nfs/dbraw/zinc/21/45/48/1070214548.db2.gz XPRIHMIIMCQCQK-FDDCHVKYSA-N 1 0 449.644 0.970 20 0 ICADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001496318445 1070214362 /nfs/dbraw/zinc/21/43/62/1070214362.db2.gz XPRIHMIIMCQCQK-JPYJTQIMSA-N 1 0 449.644 0.970 20 0 ICADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001496318446 1070214220 /nfs/dbraw/zinc/21/42/20/1070214220.db2.gz XPRIHMIIMCQCQK-MBSDFSHPSA-N 1 0 449.644 0.970 20 0 ICADRO 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CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001496899428 1070222368 /nfs/dbraw/zinc/22/23/68/1070222368.db2.gz BAKMSTLZAYTXMT-JOCHJYFZSA-N 1 0 443.552 0.926 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001496899429 1070222214 /nfs/dbraw/zinc/22/22/14/1070222214.db2.gz BAKMSTLZAYTXMT-QFIPXVFZSA-N 1 0 443.552 0.926 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@H](C)[NH+](C)C ZINC001496918911 1070222699 /nfs/dbraw/zinc/22/26/99/1070222699.db2.gz NAQLJOPKPFXTAW-AWEZNQCLSA-N 1 0 430.557 0.803 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H](C)[NH+](C)C ZINC001496918918 1070222863 /nfs/dbraw/zinc/22/28/63/1070222863.db2.gz NAQLJOPKPFXTAW-CQSZACIVSA-N 1 0 430.557 0.803 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001496946931 1070223344 /nfs/dbraw/zinc/22/33/44/1070223344.db2.gz ONIDNALDCYIYSC-BTYIYWSLSA-N 1 0 435.573 0.355 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001496946932 1070223407 /nfs/dbraw/zinc/22/34/07/1070223407.db2.gz ONIDNALDCYIYSC-QVKFZJNVSA-N 1 0 435.573 0.355 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001496946933 1070223535 /nfs/dbraw/zinc/22/35/35/1070223535.db2.gz ONIDNALDCYIYSC-VFNWGFHPSA-N 1 0 435.573 0.355 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001496946934 1070223570 /nfs/dbraw/zinc/22/35/70/1070223570.db2.gz ONIDNALDCYIYSC-YCRPNKLZSA-N 1 0 435.573 0.355 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)COC)CC2)n1CC[N@H+]1CC=CCC1 ZINC001497008807 1070224513 /nfs/dbraw/zinc/22/45/13/1070224513.db2.gz AYIURVWKQUYSJO-UHFFFAOYSA-N 1 0 447.584 0.753 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001497008914 1070224617 /nfs/dbraw/zinc/22/46/17/1070224617.db2.gz CICCBMLRGLTTGS-AEFFLSMTSA-N 1 0 449.600 0.974 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H](C)[NH+](C)C ZINC001497008916 1070224660 /nfs/dbraw/zinc/22/46/60/1070224660.db2.gz CICCBMLRGLTTGS-FUHWJXTLSA-N 1 0 449.600 0.974 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001497008919 1070224547 /nfs/dbraw/zinc/22/45/47/1070224547.db2.gz CICCBMLRGLTTGS-SJLPKXTDSA-N 1 0 449.600 0.974 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](C)[NH+](C)C ZINC001497008922 1070224503 /nfs/dbraw/zinc/22/45/03/1070224503.db2.gz CICCBMLRGLTTGS-WMZOPIPTSA-N 1 0 449.600 0.974 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)OC ZINC001497011627 1070225411 /nfs/dbraw/zinc/22/54/11/1070225411.db2.gz RXNNVUTWYWXPLW-KRWDZBQOSA-N 1 0 449.600 0.976 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)OC ZINC001497011628 1070225011 /nfs/dbraw/zinc/22/50/11/1070225011.db2.gz RXNNVUTWYWXPLW-QGZVFWFLSA-N 1 0 449.600 0.976 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001497019430 1070225163 /nfs/dbraw/zinc/22/51/63/1070225163.db2.gz BZOXZEVSJGCAST-IBGZPJMESA-N 1 0 449.600 0.712 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001497019431 1070225292 /nfs/dbraw/zinc/22/52/92/1070225292.db2.gz BZOXZEVSJGCAST-LJQANCHMSA-N 1 0 449.600 0.712 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)N1CCOCC1 ZINC001497020899 1070225205 /nfs/dbraw/zinc/22/52/05/1070225205.db2.gz NNOQBDONHHUQRQ-UHFFFAOYSA-N 1 0 449.600 0.976 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001497021274 1070225067 /nfs/dbraw/zinc/22/50/67/1070225067.db2.gz SJWZWOCYJBUGFB-KRWDZBQOSA-N 1 0 434.589 0.998 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001497021287 1070225259 /nfs/dbraw/zinc/22/52/59/1070225259.db2.gz SJWZWOCYJBUGFB-QGZVFWFLSA-N 1 0 434.589 0.998 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001497026508 1070225945 /nfs/dbraw/zinc/22/59/45/1070225945.db2.gz IVQKZXCROUHXTA-GOSISDBHSA-N 1 0 449.600 0.832 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001497026509 1070226093 /nfs/dbraw/zinc/22/60/93/1070226093.db2.gz IVQKZXCROUHXTA-SFHVURJKSA-N 1 0 449.600 0.832 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001497028927 1070225857 /nfs/dbraw/zinc/22/58/57/1070225857.db2.gz UEGBRBSAGRHQPU-BTYIYWSLSA-N 1 0 435.573 0.320 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001497028929 1070226780 /nfs/dbraw/zinc/22/67/80/1070226780.db2.gz UEGBRBSAGRHQPU-QVKFZJNVSA-N 1 0 435.573 0.320 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001497028931 1070226537 /nfs/dbraw/zinc/22/65/37/1070226537.db2.gz UEGBRBSAGRHQPU-VFNWGFHPSA-N 1 0 435.573 0.320 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001497028934 1070226701 /nfs/dbraw/zinc/22/67/01/1070226701.db2.gz UEGBRBSAGRHQPU-YCRPNKLZSA-N 1 0 435.573 0.320 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(=O)N1CCOCC1 ZINC001497048301 1070226813 /nfs/dbraw/zinc/22/68/13/1070226813.db2.gz GVLJXQWSBHRRFX-UHFFFAOYSA-N 1 0 449.600 0.833 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCn1cncn1 ZINC001497050466 1070226632 /nfs/dbraw/zinc/22/66/32/1070226632.db2.gz QZTHIBMYISDBHU-UHFFFAOYSA-N 1 0 445.572 0.789 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(=O)N(C)CC ZINC001497050533 1070226836 /nfs/dbraw/zinc/22/68/36/1070226836.db2.gz TVACUCYRPAUKMR-UHFFFAOYSA-N 1 0 449.600 0.976 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001497071000 1070228084 /nfs/dbraw/zinc/22/80/84/1070228084.db2.gz NPLMGCFFEQDQCO-HRAATJIYSA-N 1 0 438.573 0.505 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001497071001 1070227932 /nfs/dbraw/zinc/22/79/32/1070227932.db2.gz NPLMGCFFEQDQCO-IERDGZPVSA-N 1 0 438.573 0.505 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001497071003 1070228163 /nfs/dbraw/zinc/22/81/63/1070228163.db2.gz NPLMGCFFEQDQCO-IIBYNOLFSA-N 1 0 438.573 0.505 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001497071004 1070228204 /nfs/dbraw/zinc/22/82/04/1070228204.db2.gz NPLMGCFFEQDQCO-KKSFZXQISA-N 1 0 438.573 0.505 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[NH+]1CCCC1 ZINC001497073079 1070228589 /nfs/dbraw/zinc/22/85/89/1070228589.db2.gz BJFUTZYWTWMSPE-KRWDZBQOSA-N 1 0 432.573 0.896 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[NH+]1CCCC1 ZINC001497073081 1070228674 /nfs/dbraw/zinc/22/86/74/1070228674.db2.gz BJFUTZYWTWMSPE-QGZVFWFLSA-N 1 0 432.573 0.896 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001497073432 1070228726 /nfs/dbraw/zinc/22/87/26/1070228726.db2.gz ZBHOHQMHYXASAH-AOMKIAJQSA-N 1 0 449.600 0.832 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001497073436 1070228644 /nfs/dbraw/zinc/22/86/44/1070228644.db2.gz ZBHOHQMHYXASAH-KSFYIVLOSA-N 1 0 449.600 0.832 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001497073438 1070228704 /nfs/dbraw/zinc/22/87/04/1070228704.db2.gz ZBHOHQMHYXASAH-OPAMFIHVSA-N 1 0 449.600 0.832 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001497073441 1070228621 /nfs/dbraw/zinc/22/86/21/1070228621.db2.gz ZBHOHQMHYXASAH-ZHRRBRCNSA-N 1 0 449.600 0.832 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC[NH+]1CCC(C)CC1 ZINC001497084915 1070231078 /nfs/dbraw/zinc/23/10/78/1070231078.db2.gz CCLHIBRBEZCENT-GOSISDBHSA-N 1 0 449.600 0.880 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC[NH+]1CCC(C)CC1 ZINC001497084919 1070231189 /nfs/dbraw/zinc/23/11/89/1070231189.db2.gz CCLHIBRBEZCENT-SFHVURJKSA-N 1 0 449.600 0.880 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001497085068 1070231124 /nfs/dbraw/zinc/23/11/24/1070231124.db2.gz DEIZLQZJIQCYPE-UHFFFAOYSA-N 1 0 449.600 0.758 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001497102459 1070232047 /nfs/dbraw/zinc/23/20/47/1070232047.db2.gz KXXISBFHPHUSKN-HKUYNNGSSA-N 1 0 449.600 0.880 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001497102462 1070232157 /nfs/dbraw/zinc/23/21/57/1070232157.db2.gz KXXISBFHPHUSKN-IEBWSBKVSA-N 1 0 449.600 0.880 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001497102464 1070232334 /nfs/dbraw/zinc/23/23/34/1070232334.db2.gz KXXISBFHPHUSKN-MJGOQNOKSA-N 1 0 449.600 0.880 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001497102466 1070232765 /nfs/dbraw/zinc/23/27/65/1070232765.db2.gz KXXISBFHPHUSKN-PKOBYXMFSA-N 1 0 449.600 0.880 20 0 ICADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001497145191 1070234506 /nfs/dbraw/zinc/23/45/06/1070234506.db2.gz OPQMGJZKTAIQCM-GOSISDBHSA-N 1 0 447.584 0.684 20 0 ICADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001497145192 1070234439 /nfs/dbraw/zinc/23/44/39/1070234439.db2.gz OPQMGJZKTAIQCM-SFHVURJKSA-N 1 0 447.584 0.684 20 0 ICADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497145202 1070234425 /nfs/dbraw/zinc/23/44/25/1070234425.db2.gz OZLPVEAWVHSSOK-DLBZAZTESA-N 1 0 433.557 0.340 20 0 ICADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497145204 1070234669 /nfs/dbraw/zinc/23/46/69/1070234669.db2.gz OZLPVEAWVHSSOK-IAGOWNOFSA-N 1 0 433.557 0.340 20 0 ICADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497145205 1070234381 /nfs/dbraw/zinc/23/43/81/1070234381.db2.gz OZLPVEAWVHSSOK-IRXDYDNUSA-N 1 0 433.557 0.340 20 0 ICADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497145207 1070234703 /nfs/dbraw/zinc/23/47/03/1070234703.db2.gz OZLPVEAWVHSSOK-SJORKVTESA-N 1 0 433.557 0.340 20 0 ICADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001497145275 1070234411 /nfs/dbraw/zinc/23/44/11/1070234411.db2.gz PTHJETMLTGUIIO-INIZCTEOSA-N 1 0 441.602 0.374 20 0 ICADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001497145276 1070234524 /nfs/dbraw/zinc/23/45/24/1070234524.db2.gz PTHJETMLTGUIIO-MRXNPFEDSA-N 1 0 441.602 0.374 20 0 ICADRO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001497170611 1070235208 /nfs/dbraw/zinc/23/52/08/1070235208.db2.gz ADWQWWLBIXLVDM-NCOADZHNSA-N 1 0 428.603 0.970 20 0 ICADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001497170612 1070235111 /nfs/dbraw/zinc/23/51/11/1070235111.db2.gz ADWQWWLBIXLVDM-QZWWFDLISA-N 1 0 428.603 0.970 20 0 ICADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001497170613 1070235342 /nfs/dbraw/zinc/23/53/42/1070235342.db2.gz ADWQWWLBIXLVDM-TWMKSMIVSA-N 1 0 428.603 0.970 20 0 ICADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001497170614 1070235259 /nfs/dbraw/zinc/23/52/59/1070235259.db2.gz ADWQWWLBIXLVDM-VQHPVUNQSA-N 1 0 428.603 0.970 20 0 ICADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001497170903 1070235182 /nfs/dbraw/zinc/23/51/82/1070235182.db2.gz CIKYRCXFFYPRFO-DOTOQJQBSA-N 1 0 444.602 0.614 20 0 ICADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001497170904 1070235074 /nfs/dbraw/zinc/23/50/74/1070235074.db2.gz CIKYRCXFFYPRFO-NVXWUHKLSA-N 1 0 444.602 0.614 20 0 ICADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001497170905 1070235316 /nfs/dbraw/zinc/23/53/16/1070235316.db2.gz CIKYRCXFFYPRFO-RDJZCZTQSA-N 1 0 444.602 0.614 20 0 ICADRO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001497170906 1070235400 /nfs/dbraw/zinc/23/54/00/1070235400.db2.gz CIKYRCXFFYPRFO-WBVHZDCISA-N 1 0 444.602 0.614 20 0 ICADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001497279216 1070236501 /nfs/dbraw/zinc/23/65/01/1070236501.db2.gz PEBQWETYDRTDTN-MSOLQXFVSA-N 1 0 430.557 0.846 20 0 ICADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001497279220 1070236638 /nfs/dbraw/zinc/23/66/38/1070236638.db2.gz PEBQWETYDRTDTN-QZTJIDSGSA-N 1 0 430.557 0.846 20 0 ICADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001497279224 1070236472 /nfs/dbraw/zinc/23/64/72/1070236472.db2.gz PEBQWETYDRTDTN-ROUUACIJSA-N 1 0 430.557 0.846 20 0 ICADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001497279228 1070236299 /nfs/dbraw/zinc/23/62/99/1070236299.db2.gz PEBQWETYDRTDTN-ZWKOTPCHSA-N 1 0 430.557 0.846 20 0 ICADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001497280114 1070236450 /nfs/dbraw/zinc/23/64/50/1070236450.db2.gz VOTNGAVBBZDIRN-GOSISDBHSA-N 1 0 430.557 0.848 20 0 ICADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001497280119 1070236542 /nfs/dbraw/zinc/23/65/42/1070236542.db2.gz VOTNGAVBBZDIRN-SFHVURJKSA-N 1 0 430.557 0.848 20 0 ICADRO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1)[NH+]1CCCC1 ZINC001497290831 1070237051 /nfs/dbraw/zinc/23/70/51/1070237051.db2.gz BEOXRMZRYRZDKM-DLBZAZTESA-N 1 0 433.557 0.399 20 0 ICADRO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1)[NH+]1CCCC1 ZINC001497290834 1070237197 /nfs/dbraw/zinc/23/71/97/1070237197.db2.gz BEOXRMZRYRZDKM-IAGOWNOFSA-N 1 0 433.557 0.399 20 0 ICADRO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1)[NH+]1CCCC1 ZINC001497290837 1070237262 /nfs/dbraw/zinc/23/72/62/1070237262.db2.gz BEOXRMZRYRZDKM-IRXDYDNUSA-N 1 0 433.557 0.399 20 0 ICADRO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1)[NH+]1CCCC1 ZINC001497290839 1070237084 /nfs/dbraw/zinc/23/70/84/1070237084.db2.gz BEOXRMZRYRZDKM-SJORKVTESA-N 1 0 433.557 0.399 20 0 ICADRO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001497295404 1070237747 /nfs/dbraw/zinc/23/77/47/1070237747.db2.gz VUVHBNSWYXBLDV-CVEARBPZSA-N 1 0 426.587 0.975 20 0 ICADRO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001497295405 1070237643 /nfs/dbraw/zinc/23/76/43/1070237643.db2.gz VUVHBNSWYXBLDV-HOTGVXAUSA-N 1 0 426.587 0.975 20 0 ICADRO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001497295406 1070237586 /nfs/dbraw/zinc/23/75/86/1070237586.db2.gz VUVHBNSWYXBLDV-HZPDHXFCSA-N 1 0 426.587 0.975 20 0 ICADRO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001497295407 1070237703 /nfs/dbraw/zinc/23/77/03/1070237703.db2.gz VUVHBNSWYXBLDV-JKSUJKDBSA-N 1 0 426.587 0.975 20 0 ICADRO CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001497327165 1070238184 /nfs/dbraw/zinc/23/81/84/1070238184.db2.gz IATKLZZUXMDBDA-DLBZAZTESA-N 1 0 444.602 0.566 20 0 ICADRO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001497327166 1070238086 /nfs/dbraw/zinc/23/80/86/1070238086.db2.gz IATKLZZUXMDBDA-IAGOWNOFSA-N 1 0 444.602 0.566 20 0 ICADRO CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001497327167 1070238338 /nfs/dbraw/zinc/23/83/38/1070238338.db2.gz IATKLZZUXMDBDA-IRXDYDNUSA-N 1 0 444.602 0.566 20 0 ICADRO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001497327168 1070238250 /nfs/dbraw/zinc/23/82/50/1070238250.db2.gz IATKLZZUXMDBDA-SJORKVTESA-N 1 0 444.602 0.566 20 0 ICADRO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001497330657 1070238423 /nfs/dbraw/zinc/23/84/23/1070238423.db2.gz TYPPUUPATIQJQU-BBWFWOEESA-N 1 0 438.598 0.756 20 0 ICADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001497330660 1070238153 /nfs/dbraw/zinc/23/81/53/1070238153.db2.gz TYPPUUPATIQJQU-GVDBMIGSSA-N 1 0 438.598 0.756 20 0 ICADRO CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001497330664 1070238761 /nfs/dbraw/zinc/23/87/61/1070238761.db2.gz TYPPUUPATIQJQU-ULQDDVLXSA-N 1 0 438.598 0.756 20 0 ICADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001497330666 1070238963 /nfs/dbraw/zinc/23/89/63/1070238963.db2.gz TYPPUUPATIQJQU-YESZJQIVSA-N 1 0 438.598 0.756 20 0 ICADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497376460 1070238927 /nfs/dbraw/zinc/23/89/27/1070238927.db2.gz BSDKCXNKWDEBRO-DLBZAZTESA-N 1 0 433.557 0.226 20 0 ICADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497376463 1070239001 /nfs/dbraw/zinc/23/90/01/1070239001.db2.gz BSDKCXNKWDEBRO-IAGOWNOFSA-N 1 0 433.557 0.226 20 0 ICADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497376465 1070238878 /nfs/dbraw/zinc/23/88/78/1070238878.db2.gz BSDKCXNKWDEBRO-IRXDYDNUSA-N 1 0 433.557 0.226 20 0 ICADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001497376466 1070238820 /nfs/dbraw/zinc/23/88/20/1070238820.db2.gz BSDKCXNKWDEBRO-SJORKVTESA-N 1 0 433.557 0.226 20 0 ICADRO CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001497436509 1070239453 /nfs/dbraw/zinc/23/94/53/1070239453.db2.gz GDIMYUBZAMRHQM-UHFFFAOYSA-N 1 0 444.584 0.974 20 0 ICADRO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001497604489 1070242358 /nfs/dbraw/zinc/24/23/58/1070242358.db2.gz XKJYQCXGIMKQJJ-CRAIPNDOSA-N 1 0 446.643 0.942 20 0 ICADRO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001497604494 1070242403 /nfs/dbraw/zinc/24/24/03/1070242403.db2.gz XKJYQCXGIMKQJJ-MAUKXSAKSA-N 1 0 446.643 0.942 20 0 ICADRO CC[C@@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001497604498 1070242616 /nfs/dbraw/zinc/24/26/16/1070242616.db2.gz XKJYQCXGIMKQJJ-QAPCUYQASA-N 1 0 446.643 0.942 20 0 ICADRO CC[C@@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001497604504 1070242326 /nfs/dbraw/zinc/24/23/26/1070242326.db2.gz XKJYQCXGIMKQJJ-YJBOKZPZSA-N 1 0 446.643 0.942 20 0 ICADRO CCc1ccc(-c2nnc(N3CCN(CCOC)C(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001497967339 1070244374 /nfs/dbraw/zinc/24/43/74/1070244374.db2.gz JPANBJGHWGBOJP-HSZRJFAPSA-N 1 0 442.564 0.869 20 0 ICADRO CCc1ccc(-c2nnc(N3CCN(CCOC)C(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001497967340 1070244225 /nfs/dbraw/zinc/24/42/25/1070244225.db2.gz JPANBJGHWGBOJP-QHCPKHFHSA-N 1 0 442.564 0.869 20 0 ICADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001497972775 1070244855 /nfs/dbraw/zinc/24/48/55/1070244855.db2.gz VJGJHAFARDIMOC-AVRDEDQJSA-N 1 0 428.537 0.525 20 0 ICADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001497972776 1070244748 /nfs/dbraw/zinc/24/47/48/1070244748.db2.gz VJGJHAFARDIMOC-GCJKJVERSA-N 1 0 428.537 0.525 20 0 ICADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001497972777 1070244907 /nfs/dbraw/zinc/24/49/07/1070244907.db2.gz VJGJHAFARDIMOC-PGRDOPGGSA-N 1 0 428.537 0.525 20 0 ICADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001497972778 1070244788 /nfs/dbraw/zinc/24/47/88/1070244788.db2.gz VJGJHAFARDIMOC-XMSQKQJNSA-N 1 0 428.537 0.525 20 0 ICADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001498098065 1070245329 /nfs/dbraw/zinc/24/53/29/1070245329.db2.gz DCUMLWWCJQKDMU-JOCHJYFZSA-N 1 0 428.537 0.765 20 0 ICADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001498098070 1070245548 /nfs/dbraw/zinc/24/55/48/1070245548.db2.gz DCUMLWWCJQKDMU-QFIPXVFZSA-N 1 0 428.537 0.765 20 0 ICADRO CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001498536711 1070250816 /nfs/dbraw/zinc/25/08/16/1070250816.db2.gz ULEVWBYTFPCXFD-UHFFFAOYSA-N 1 0 444.584 0.938 20 0 ICADRO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001498605214 1070251851 /nfs/dbraw/zinc/25/18/51/1070251851.db2.gz DRAPHKZDVXVZAB-KRWDZBQOSA-N 1 0 441.646 0.727 20 0 ICADRO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001498605218 1070251732 /nfs/dbraw/zinc/25/17/32/1070251732.db2.gz DRAPHKZDVXVZAB-QGZVFWFLSA-N 1 0 441.646 0.727 20 0 ICADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001498606792 1070251910 /nfs/dbraw/zinc/25/19/10/1070251910.db2.gz LRVHQSPNUUXQQV-UHFFFAOYSA-N 1 0 444.584 0.920 20 0 ICADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC(=O)N1CCOCC1 ZINC001498607721 1070251799 /nfs/dbraw/zinc/25/17/99/1070251799.db2.gz RIMNPTGGNUWMMJ-UHFFFAOYSA-N 1 0 430.557 0.497 20 0 ICADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001498812177 1070253132 /nfs/dbraw/zinc/25/31/32/1070253132.db2.gz ALJVINNFAKLABR-AQOAWAETSA-N 1 0 431.585 0.698 20 0 ICADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@]1(C)CN(C)C1=O ZINC001498812178 1070252783 /nfs/dbraw/zinc/25/27/83/1070252783.db2.gz ALJVINNFAKLABR-CECAUBDESA-N 1 0 431.585 0.698 20 0 ICADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001498812179 1070253008 /nfs/dbraw/zinc/25/30/08/1070253008.db2.gz ALJVINNFAKLABR-SGXKBVARSA-N 1 0 431.585 0.698 20 0 ICADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001498812180 1070253095 /nfs/dbraw/zinc/25/30/95/1070253095.db2.gz ALJVINNFAKLABR-ZJBJCVSYSA-N 1 0 431.585 0.698 20 0 ICADRO CCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001498815650 1070253799 /nfs/dbraw/zinc/25/37/99/1070253799.db2.gz NDHLPFIJZSOMBA-DYXWJJEUSA-N 1 0 447.628 0.798 20 0 ICADRO CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001498815651 1070253547 /nfs/dbraw/zinc/25/35/47/1070253547.db2.gz NDHLPFIJZSOMBA-IRFCIJBXSA-N 1 0 447.628 0.798 20 0 ICADRO CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001498815652 1070253692 /nfs/dbraw/zinc/25/36/92/1070253692.db2.gz NDHLPFIJZSOMBA-SVFBPWRDSA-N 1 0 447.628 0.798 20 0 ICADRO CCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001498815653 1070253916 /nfs/dbraw/zinc/25/39/16/1070253916.db2.gz NDHLPFIJZSOMBA-ZJOUEHCJSA-N 1 0 447.628 0.798 20 0 ICADRO CCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001498917222 1070254978 /nfs/dbraw/zinc/25/49/78/1070254978.db2.gz FXDUVZDGSFCBQN-NRFANRHFSA-N 1 0 433.557 0.502 20 0 ICADRO 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CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001500773132 1070318542 /nfs/dbraw/zinc/31/85/42/1070318542.db2.gz TVSUDQNCHAKUMU-UHFFFAOYSA-N 1 0 441.602 0.328 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001500778381 1070318407 /nfs/dbraw/zinc/31/84/07/1070318407.db2.gz KYTMDPURLCOVND-INIZCTEOSA-N 1 0 429.525 0.725 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001500778382 1070318662 /nfs/dbraw/zinc/31/86/62/1070318662.db2.gz KYTMDPURLCOVND-MRXNPFEDSA-N 1 0 429.525 0.725 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001500783838 1070319348 /nfs/dbraw/zinc/31/93/48/1070319348.db2.gz BYAWETXXLCKXEZ-UHFFFAOYSA-N 1 0 442.568 0.932 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001500784118 1070319063 /nfs/dbraw/zinc/31/90/63/1070319063.db2.gz MRHSRVOPUVTPSJ-INIZCTEOSA-N 1 0 426.525 0.219 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001500784119 1070319381 /nfs/dbraw/zinc/31/93/81/1070319381.db2.gz MRHSRVOPUVTPSJ-MRXNPFEDSA-N 1 0 426.525 0.219 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001500784303 1070319533 /nfs/dbraw/zinc/31/95/33/1070319533.db2.gz RSKKMTDUUIDNMG-UHFFFAOYSA-N 1 0 431.589 0.621 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001500784405 1070319317 /nfs/dbraw/zinc/31/93/17/1070319317.db2.gz VXUBVZRRJOOHLT-UHFFFAOYSA-N 1 0 436.586 0.985 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001500789491 1070319154 /nfs/dbraw/zinc/31/91/54/1070319154.db2.gz BDGMMMWVTKIUTJ-INIZCTEOSA-N 1 0 426.587 0.614 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001500789492 1070319272 /nfs/dbraw/zinc/31/92/72/1070319272.db2.gz BDGMMMWVTKIUTJ-MRXNPFEDSA-N 1 0 426.587 0.614 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 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/nfs/dbraw/zinc/31/94/36/1070319436.db2.gz IYHCJHHKGQFLQP-JKSUJKDBSA-N 1 0 426.587 0.579 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 ZINC001500790219 1070319984 /nfs/dbraw/zinc/31/99/84/1070319984.db2.gz RNAQWKMLGREUNU-INIZCTEOSA-N 1 0 446.643 0.896 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 ZINC001500790220 1070320290 /nfs/dbraw/zinc/32/02/90/1070320290.db2.gz RNAQWKMLGREUNU-MRXNPFEDSA-N 1 0 446.643 0.896 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001500790233 1070320184 /nfs/dbraw/zinc/32/01/84/1070320184.db2.gz RWIQRBOGVGZZEV-KRWDZBQOSA-N 1 0 447.584 0.441 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001500790234 1070320384 /nfs/dbraw/zinc/32/03/84/1070320384.db2.gz RWIQRBOGVGZZEV-QGZVFWFLSA-N 1 0 447.584 0.441 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001500790642 1070320121 /nfs/dbraw/zinc/32/01/21/1070320121.db2.gz 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440.574 0.820 20 0 ICADRO CCC[NH+](CCC)CCCn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001500850333 1070320272 /nfs/dbraw/zinc/32/02/72/1070320272.db2.gz PSPCBAHJLBKQSJ-UHFFFAOYSA-N 1 0 449.600 0.606 20 0 ICADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001500917091 1070321796 /nfs/dbraw/zinc/32/17/96/1070321796.db2.gz BCTXZYHUKYQAHM-UHFFFAOYSA-N 1 0 449.600 0.833 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)COC)CC2)C1 ZINC001500918474 1070321566 /nfs/dbraw/zinc/32/15/66/1070321566.db2.gz RUJLEXLHUYLNSS-GOSISDBHSA-N 1 0 447.584 0.541 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)COC)CC2)C1 ZINC001500918476 1070321765 /nfs/dbraw/zinc/32/17/65/1070321765.db2.gz RUJLEXLHUYLNSS-SFHVURJKSA-N 1 0 447.584 0.541 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001500920954 1070321605 /nfs/dbraw/zinc/32/16/05/1070321605.db2.gz FDVRDCOBAAFHDK-JYJNAYRXSA-N 1 0 441.602 0.287 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001500920955 1070321914 /nfs/dbraw/zinc/32/19/14/1070321914.db2.gz FDVRDCOBAAFHDK-OAGGEKHMSA-N 1 0 441.602 0.287 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001500920956 1070321826 /nfs/dbraw/zinc/32/18/26/1070321826.db2.gz FDVRDCOBAAFHDK-PMPSAXMXSA-N 1 0 441.602 0.287 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001500920957 1070321453 /nfs/dbraw/zinc/32/14/53/1070321453.db2.gz FDVRDCOBAAFHDK-XHSDSOJGSA-N 1 0 441.602 0.287 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)[C@H]2CC)C1 ZINC001500921529 1070322404 /nfs/dbraw/zinc/32/24/04/1070322404.db2.gz JQYJUMMTXOPGEU-HRCADAONSA-N 1 0 441.602 0.335 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)[C@@H]2CC)C1 ZINC001500921533 1070322244 /nfs/dbraw/zinc/32/22/44/1070322244.db2.gz JQYJUMMTXOPGEU-JYJNAYRXSA-N 1 0 441.602 0.335 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)[C@H]2CC)C1 ZINC001500921535 1070322438 /nfs/dbraw/zinc/32/24/38/1070322438.db2.gz JQYJUMMTXOPGEU-OWCLPIDISA-N 1 0 441.602 0.335 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)[C@@H]2CC)C1 ZINC001500921536 1070322766 /nfs/dbraw/zinc/32/27/66/1070322766.db2.gz JQYJUMMTXOPGEU-PMPSAXMXSA-N 1 0 441.602 0.335 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC001500925137 1070322667 /nfs/dbraw/zinc/32/26/67/1070322667.db2.gz KXSLBBUEEFATFE-MOPGFXCFSA-N 1 0 440.614 0.949 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC001500925138 1070322164 /nfs/dbraw/zinc/32/21/64/1070322164.db2.gz KXSLBBUEEFATFE-OALUTQOASA-N 1 0 440.614 0.949 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC001500925139 1070322521 /nfs/dbraw/zinc/32/25/21/1070322521.db2.gz KXSLBBUEEFATFE-RBUKOAKNSA-N 1 0 440.614 0.949 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC001500925140 1070322628 /nfs/dbraw/zinc/32/26/28/1070322628.db2.gz KXSLBBUEEFATFE-RTBURBONSA-N 1 0 440.614 0.949 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC001500925342 1070322366 /nfs/dbraw/zinc/32/23/66/1070322366.db2.gz PIXHZIUYJCUWJC-KRWDZBQOSA-N 1 0 437.570 0.958 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC001500925343 1070322804 /nfs/dbraw/zinc/32/28/04/1070322804.db2.gz PIXHZIUYJCUWJC-QGZVFWFLSA-N 1 0 437.570 0.958 20 0 ICADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001500936721 1070322841 /nfs/dbraw/zinc/32/28/41/1070322841.db2.gz RRAIKNNHLRCCTO-DLBZAZTESA-N 1 0 438.598 0.975 20 0 ICADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001500936722 1070322563 /nfs/dbraw/zinc/32/25/63/1070322563.db2.gz RRAIKNNHLRCCTO-IAGOWNOFSA-N 1 0 438.598 0.975 20 0 ICADRO 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ZINC001501432664 1070352852 /nfs/dbraw/zinc/35/28/52/1070352852.db2.gz UWUQGEIZBGFVAD-LJQANCHMSA-N 1 0 444.584 0.777 20 0 ICADRO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[NH+]1CCOCC1 ZINC001501471360 1070353558 /nfs/dbraw/zinc/35/35/58/1070353558.db2.gz GCWVKGJACQDLTK-INIZCTEOSA-N 1 0 430.575 0.180 20 0 ICADRO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[NH+]1CCOCC1 ZINC001501471361 1070353354 /nfs/dbraw/zinc/35/33/54/1070353354.db2.gz GCWVKGJACQDLTK-MRXNPFEDSA-N 1 0 430.575 0.180 20 0 ICADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)C2)c1 ZINC001501491997 1070354095 /nfs/dbraw/zinc/35/40/95/1070354095.db2.gz HACAXVIOLAMFTB-UHFFFAOYSA-N 1 0 425.537 0.950 20 0 ICADRO CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001501587203 1070356407 /nfs/dbraw/zinc/35/64/07/1070356407.db2.gz QBBHFZPDEZQYNG-DLBZAZTESA-N 1 0 449.581 0.595 20 0 ICADRO CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001501587207 1070356290 /nfs/dbraw/zinc/35/62/90/1070356290.db2.gz QBBHFZPDEZQYNG-IAGOWNOFSA-N 1 0 449.581 0.595 20 0 ICADRO CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001501587208 1070356715 /nfs/dbraw/zinc/35/67/15/1070356715.db2.gz QBBHFZPDEZQYNG-IRXDYDNUSA-N 1 0 449.581 0.595 20 0 ICADRO CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001501587209 1070356463 /nfs/dbraw/zinc/35/64/63/1070356463.db2.gz QBBHFZPDEZQYNG-SJORKVTESA-N 1 0 449.581 0.595 20 0 ICADRO CCN(c1nnc([C@H]2CCCOC2)n1CCOCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001501611957 1070357620 /nfs/dbraw/zinc/35/76/20/1070357620.db2.gz TYNXIRDKALZLOT-DLBZAZTESA-N 1 0 429.587 0.764 20 0 ICADRO CCN(c1nnc([C@@H]2CCCOC2)n1CCOCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001501611961 1070357468 /nfs/dbraw/zinc/35/74/68/1070357468.db2.gz TYNXIRDKALZLOT-IAGOWNOFSA-N 1 0 429.587 0.764 20 0 ICADRO CCN(c1nnc([C@H]2CCCOC2)n1CCOCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001501611964 1070357765 /nfs/dbraw/zinc/35/77/65/1070357765.db2.gz TYNXIRDKALZLOT-IRXDYDNUSA-N 1 0 429.587 0.764 20 0 ICADRO CCN(c1nnc([C@@H]2CCCOC2)n1CCOCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001501611966 1070357516 /nfs/dbraw/zinc/35/75/16/1070357516.db2.gz TYNXIRDKALZLOT-SJORKVTESA-N 1 0 429.587 0.764 20 0 ICADRO CCN(C1CCN(c2nnc(C)n2CCC[NH+]2CCC(O)CC2)CC1)S(C)(=O)=O ZINC001501680508 1070362033 /nfs/dbraw/zinc/36/20/33/1070362033.db2.gz GWXUGYYUDBMKBF-UHFFFAOYSA-N 1 0 428.603 0.684 20 0 ICADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001501770024 1070363850 /nfs/dbraw/zinc/36/38/50/1070363850.db2.gz NCKBMVFKJBZMHW-FQEVSTJZSA-N 1 0 435.617 0.814 20 0 ICADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001501770025 1070364379 /nfs/dbraw/zinc/36/43/79/1070364379.db2.gz NCKBMVFKJBZMHW-HXUWFJFHSA-N 1 0 435.617 0.814 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501783497 1070365821 /nfs/dbraw/zinc/36/58/21/1070365821.db2.gz LOEVZBFQIBSAOD-JOCHJYFZSA-N 1 0 433.601 0.603 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501783498 1070365944 /nfs/dbraw/zinc/36/59/44/1070365944.db2.gz LOEVZBFQIBSAOD-QFIPXVFZSA-N 1 0 433.601 0.603 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001501784241 1070365895 /nfs/dbraw/zinc/36/58/95/1070365895.db2.gz YSIFOQGOJSGFDQ-UHFFFAOYSA-N 1 0 441.584 0.821 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001501793018 1070367462 /nfs/dbraw/zinc/36/74/62/1070367462.db2.gz NECGFNXSHQNTKM-KRWDZBQOSA-N 1 0 435.573 0.539 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001501793019 1070367715 /nfs/dbraw/zinc/36/77/15/1070367715.db2.gz NECGFNXSHQNTKM-QGZVFWFLSA-N 1 0 435.573 0.539 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001501793349 1070367534 /nfs/dbraw/zinc/36/75/34/1070367534.db2.gz ZGSRTNMGSHXKJJ-INIZCTEOSA-N 1 0 442.568 0.901 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001501793350 1070367573 /nfs/dbraw/zinc/36/75/73/1070367573.db2.gz ZGSRTNMGSHXKJJ-MRXNPFEDSA-N 1 0 442.568 0.901 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001501793438 1070367647 /nfs/dbraw/zinc/36/76/47/1070367647.db2.gz ASISNYNIBOKTNB-CABCVRRESA-N 1 0 441.602 0.430 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001501793439 1070367805 /nfs/dbraw/zinc/36/78/05/1070367805.db2.gz ASISNYNIBOKTNB-GJZGRUSLSA-N 1 0 441.602 0.430 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001501793440 1070367751 /nfs/dbraw/zinc/36/77/51/1070367751.db2.gz ASISNYNIBOKTNB-HUUCEWRRSA-N 1 0 441.602 0.430 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001501793441 1070368221 /nfs/dbraw/zinc/36/82/21/1070368221.db2.gz ASISNYNIBOKTNB-LSDHHAIUSA-N 1 0 441.602 0.430 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001501793534 1070368093 /nfs/dbraw/zinc/36/80/93/1070368093.db2.gz CIZRQFVVCSFOFE-HNNXBMFYSA-N 1 0 425.559 0.957 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501794104 1070368050 /nfs/dbraw/zinc/36/80/50/1070368050.db2.gz NWICFAJEGQLIBC-GOSISDBHSA-N 1 0 448.616 0.455 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501794105 1070368184 /nfs/dbraw/zinc/36/81/84/1070368184.db2.gz NWICFAJEGQLIBC-SFHVURJKSA-N 1 0 448.616 0.455 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501794631 1070368273 /nfs/dbraw/zinc/36/82/73/1070368273.db2.gz YRIKGAQGVUFQRB-KRWDZBQOSA-N 1 0 436.605 0.357 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001501794672 1070368027 /nfs/dbraw/zinc/36/80/27/1070368027.db2.gz ZNRVWIFNOSWNRX-CLCXKQKWSA-N 1 0 441.602 0.478 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001501794673 1070368161 /nfs/dbraw/zinc/36/81/61/1070368161.db2.gz ZNRVWIFNOSWNRX-SPYBWZPUSA-N 1 0 441.602 0.478 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001501794674 1070368293 /nfs/dbraw/zinc/36/82/93/1070368293.db2.gz ZNRVWIFNOSWNRX-VCBZYWHSSA-N 1 0 441.602 0.478 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001501794675 1070367988 /nfs/dbraw/zinc/36/79/88/1070367988.db2.gz ZNRVWIFNOSWNRX-ZRGWGRIASA-N 1 0 441.602 0.478 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501799659 1070368254 /nfs/dbraw/zinc/36/82/54/1070368254.db2.gz WRROBWMNXBFRLI-DOTOQJQBSA-N 1 0 426.525 0.217 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501799660 1070368006 /nfs/dbraw/zinc/36/80/06/1070368006.db2.gz WRROBWMNXBFRLI-NVXWUHKLSA-N 1 0 426.525 0.217 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501799661 1070368238 /nfs/dbraw/zinc/36/82/38/1070368238.db2.gz WRROBWMNXBFRLI-RDJZCZTQSA-N 1 0 426.525 0.217 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501799662 1070368350 /nfs/dbraw/zinc/36/83/50/1070368350.db2.gz WRROBWMNXBFRLI-WBVHZDCISA-N 1 0 426.525 0.217 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001501800569 1070368118 /nfs/dbraw/zinc/36/81/18/1070368118.db2.gz NDEGYPDPPHNLBB-CVEARBPZSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001501800570 1070368073 /nfs/dbraw/zinc/36/80/73/1070368073.db2.gz NDEGYPDPPHNLBB-HOTGVXAUSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001501800571 1070368332 /nfs/dbraw/zinc/36/83/32/1070368332.db2.gz NDEGYPDPPHNLBB-HZPDHXFCSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001501800572 1070368204 /nfs/dbraw/zinc/36/82/04/1070368204.db2.gz NDEGYPDPPHNLBB-JKSUJKDBSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001501800753 1070368370 /nfs/dbraw/zinc/36/83/70/1070368370.db2.gz QKZWZHCTWZSXAB-DOTOQJQBSA-N 1 0 443.556 0.546 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001501800754 1070368312 /nfs/dbraw/zinc/36/83/12/1070368312.db2.gz QKZWZHCTWZSXAB-NVXWUHKLSA-N 1 0 443.556 0.546 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001501800755 1070368140 /nfs/dbraw/zinc/36/81/40/1070368140.db2.gz QKZWZHCTWZSXAB-RDJZCZTQSA-N 1 0 443.556 0.546 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001501800756 1070368823 /nfs/dbraw/zinc/36/88/23/1070368823.db2.gz QKZWZHCTWZSXAB-WBVHZDCISA-N 1 0 443.556 0.546 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001501802774 1070368840 /nfs/dbraw/zinc/36/88/40/1070368840.db2.gz XOHGZJPRGOCANS-FUHWJXTLSA-N 1 0 440.614 0.969 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001501802775 1070368676 /nfs/dbraw/zinc/36/86/76/1070368676.db2.gz XOHGZJPRGOCANS-WMZOPIPTSA-N 1 0 440.614 0.969 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501803071 1070368806 /nfs/dbraw/zinc/36/88/06/1070368806.db2.gz DFMDJYVDZQAEDF-AEFFLSMTSA-N 1 0 440.552 0.141 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501803072 1070368946 /nfs/dbraw/zinc/36/89/46/1070368946.db2.gz DFMDJYVDZQAEDF-FUHWJXTLSA-N 1 0 440.552 0.141 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501803073 1070368606 /nfs/dbraw/zinc/36/86/06/1070368606.db2.gz DFMDJYVDZQAEDF-SJLPKXTDSA-N 1 0 440.552 0.141 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501803074 1070368653 /nfs/dbraw/zinc/36/86/53/1070368653.db2.gz DFMDJYVDZQAEDF-WMZOPIPTSA-N 1 0 440.552 0.141 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501804834 1070368748 /nfs/dbraw/zinc/36/87/48/1070368748.db2.gz MDPOGZTYYKEIKF-AEFFLSMTSA-N 1 0 431.585 0.888 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501804835 1070368495 /nfs/dbraw/zinc/36/84/95/1070368495.db2.gz MDPOGZTYYKEIKF-FUHWJXTLSA-N 1 0 431.585 0.888 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501804836 1070368629 /nfs/dbraw/zinc/36/86/29/1070368629.db2.gz MDPOGZTYYKEIKF-SJLPKXTDSA-N 1 0 431.585 0.888 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501804837 1070368883 /nfs/dbraw/zinc/36/88/83/1070368883.db2.gz MDPOGZTYYKEIKF-WMZOPIPTSA-N 1 0 431.585 0.888 20 0 ICADRO CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001501873860 1070368521 /nfs/dbraw/zinc/36/85/21/1070368521.db2.gz OVHBQNWULFFDGW-INIZCTEOSA-N 1 0 444.602 0.568 20 0 ICADRO CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001501873861 1070368790 /nfs/dbraw/zinc/36/87/90/1070368790.db2.gz OVHBQNWULFFDGW-MRXNPFEDSA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cnnn2)CC1 ZINC001501886091 1070369421 /nfs/dbraw/zinc/36/94/21/1070369421.db2.gz RKNRFEOUKLTEPX-UHFFFAOYSA-N 1 0 430.561 0.902 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001501886284 1070369124 /nfs/dbraw/zinc/36/91/24/1070369124.db2.gz UQQAFXFSGPTDHR-UHFFFAOYSA-N 1 0 441.602 0.374 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnnn2C)CC1 ZINC001501886918 1070369439 /nfs/dbraw/zinc/36/94/39/1070369439.db2.gz CBGIALWSTKVGKS-AWEZNQCLSA-N 1 0 439.590 0.376 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnnn2C)CC1 ZINC001501886919 1070369201 /nfs/dbraw/zinc/36/92/01/1070369201.db2.gz CBGIALWSTKVGKS-CQSZACIVSA-N 1 0 439.590 0.376 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)CC1 ZINC001501887028 1070369221 /nfs/dbraw/zinc/36/92/21/1070369221.db2.gz GNLQVVFWPDOBIJ-HNNXBMFYSA-N 1 0 443.618 0.677 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)CC1 ZINC001501887029 1070369458 /nfs/dbraw/zinc/36/94/58/1070369458.db2.gz GNLQVVFWPDOBIJ-OAHLLOKOSA-N 1 0 443.618 0.677 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 ZINC001501887293 1070369144 /nfs/dbraw/zinc/36/91/44/1070369144.db2.gz NIBVWLAZPCQSPR-AWEZNQCLSA-N 1 0 439.590 0.376 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 ZINC001501887294 1070369303 /nfs/dbraw/zinc/36/93/03/1070369303.db2.gz NIBVWLAZPCQSPR-CQSZACIVSA-N 1 0 439.590 0.376 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N2CCOCC2)CC1 ZINC001501890965 1070369344 /nfs/dbraw/zinc/36/93/44/1070369344.db2.gz HPXKMAOFORWAHN-UHFFFAOYSA-N 1 0 430.557 0.848 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001501891054 1070369401 /nfs/dbraw/zinc/36/94/01/1070369401.db2.gz JIBFNDXQKUIHKK-FQEVSTJZSA-N 1 0 449.581 0.595 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001501891055 1070369262 /nfs/dbraw/zinc/36/92/62/1070369262.db2.gz JIBFNDXQKUIHKK-HXUWFJFHSA-N 1 0 449.581 0.595 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001501891533 1070369161 /nfs/dbraw/zinc/36/91/61/1070369161.db2.gz OQBHOJDCYLNEPA-UHFFFAOYSA-N 1 0 438.602 0.881 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)CC1 ZINC001501892767 1070369477 /nfs/dbraw/zinc/36/94/77/1070369477.db2.gz AUNCLFGNWFRYAX-INIZCTEOSA-N 1 0 441.602 0.479 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)CC1 ZINC001501892768 1070369659 /nfs/dbraw/zinc/36/96/59/1070369659.db2.gz AUNCLFGNWFRYAX-MRXNPFEDSA-N 1 0 441.602 0.479 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)CC1 ZINC001501895377 1070369919 /nfs/dbraw/zinc/36/99/19/1070369919.db2.gz BCMSZHCTBNSHLN-HNNXBMFYSA-N 1 0 447.627 0.535 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)CC1 ZINC001501895378 1070370300 /nfs/dbraw/zinc/37/03/00/1070370300.db2.gz BCMSZHCTBNSHLN-OAHLLOKOSA-N 1 0 447.627 0.535 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001501896099 1070369957 /nfs/dbraw/zinc/36/99/57/1070369957.db2.gz XPNQGYJYEVDNRY-HNNXBMFYSA-N 1 0 426.587 0.579 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001501896100 1070369977 /nfs/dbraw/zinc/36/99/77/1070369977.db2.gz XPNQGYJYEVDNRY-OAHLLOKOSA-N 1 0 426.587 0.579 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCC2)CC1 ZINC001501899166 1070369835 /nfs/dbraw/zinc/36/98/35/1070369835.db2.gz JGIGSBVHHIVCOZ-UHFFFAOYSA-N 1 0 435.573 0.322 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)O)CC1 ZINC001501899704 1070369755 /nfs/dbraw/zinc/36/97/55/1070369755.db2.gz QWRZUJVQPBSZDK-UHFFFAOYSA-N 1 0 435.573 0.275 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001501899995 1070369874 /nfs/dbraw/zinc/36/98/74/1070369874.db2.gz UWDQSCAZZDXKFR-UHFFFAOYSA-N 1 0 449.600 0.425 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001501900041 1070369636 /nfs/dbraw/zinc/36/96/36/1070369636.db2.gz WPBQTADNHQQSQW-XLIONFOSSA-N 1 0 441.598 0.990 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001501900042 1070369939 /nfs/dbraw/zinc/36/99/39/1070369939.db2.gz WPBQTADNHQQSQW-YLJYHZDGSA-N 1 0 441.598 0.990 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCOC2)CC1 ZINC001501900197 1070369794 /nfs/dbraw/zinc/36/97/94/1070369794.db2.gz YRSJIDJXBTYYKB-GOSISDBHSA-N 1 0 449.600 0.833 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCOC2)CC1 ZINC001501900198 1070370255 /nfs/dbraw/zinc/37/02/55/1070370255.db2.gz YRSJIDJXBTYYKB-SFHVURJKSA-N 1 0 449.600 0.833 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC2)CC1 ZINC001501901207 1070369716 /nfs/dbraw/zinc/36/97/16/1070369716.db2.gz IQDHFTFTGGFKTR-AWEZNQCLSA-N 1 0 427.575 0.214 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC2)CC1 ZINC001501901208 1070370177 /nfs/dbraw/zinc/37/01/77/1070370177.db2.gz IQDHFTFTGGFKTR-CQSZACIVSA-N 1 0 427.575 0.214 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001501901381 1070369997 /nfs/dbraw/zinc/36/99/97/1070369997.db2.gz NKVGYRMBMHDSEA-IBGZPJMESA-N 1 0 444.584 0.978 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 ZINC001501901382 1070370088 /nfs/dbraw/zinc/37/00/88/1070370088.db2.gz NKVGYRMBMHDSEA-LJQANCHMSA-N 1 0 444.584 0.978 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001501901406 1070369678 /nfs/dbraw/zinc/36/96/78/1070369678.db2.gz OIKLNIQMFWVLGM-KRWDZBQOSA-N 1 0 426.587 0.544 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001501901407 1070370046 /nfs/dbraw/zinc/37/00/46/1070370046.db2.gz OIKLNIQMFWVLGM-QGZVFWFLSA-N 1 0 426.587 0.544 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001501901450 1070370905 /nfs/dbraw/zinc/37/09/05/1070370905.db2.gz PRAVAPDYLLDRKR-UHFFFAOYSA-N 1 0 440.614 0.934 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccc(-n3cncn3)nc2)CC1 ZINC001501901752 1070371209 /nfs/dbraw/zinc/37/12/09/1070371209.db2.gz YLCFHQHYOWFFAQ-UHFFFAOYSA-N 1 0 438.540 0.601 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2COCCO2)CC1 ZINC001501903575 1070370468 /nfs/dbraw/zinc/37/04/68/1070370468.db2.gz BETCQXGAYBGBRC-SFHVURJKSA-N 1 0 445.568 0.689 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ncn(C)n2)CC1 ZINC001501903598 1070370745 /nfs/dbraw/zinc/37/07/45/1070370745.db2.gz BZFMVLPPCGNBKX-UHFFFAOYSA-N 1 0 440.556 0.451 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCNC(C)=O)CC1 ZINC001501903720 1070370611 /nfs/dbraw/zinc/37/06/11/1070370611.db2.gz GVQLWBVYDBZBMA-UHFFFAOYSA-N 1 0 442.568 0.857 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[S@@](=O)CC)CC1 ZINC001501903725 1070371262 /nfs/dbraw/zinc/37/12/62/1070371262.db2.gz HCFHOKVIPMEGPU-HKBQPEDESA-N 1 0 448.597 0.494 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[S@](=O)CC)CC1 ZINC001501903726 1070371116 /nfs/dbraw/zinc/37/11/16/1070371116.db2.gz HCFHOKVIPMEGPU-WJOKGBTCSA-N 1 0 448.597 0.494 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(=O)NC(C)C)CC1 ZINC001501903735 1070371076 /nfs/dbraw/zinc/37/10/76/1070371076.db2.gz HLCPWBPROLVBAL-UHFFFAOYSA-N 1 0 442.568 0.855 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)CC)CC1 ZINC001501903747 1070370782 /nfs/dbraw/zinc/37/07/82/1070370782.db2.gz HXNOLNPRPCMZGS-NRFANRHFSA-N 1 0 430.557 0.887 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)CC)CC1 ZINC001501903748 1070371030 /nfs/dbraw/zinc/37/10/30/1070371030.db2.gz HXNOLNPRPCMZGS-OAQYLSRUSA-N 1 0 430.557 0.887 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2cnn(C)c2)CC1 ZINC001501903755 1070371164 /nfs/dbraw/zinc/37/11/64/1070371164.db2.gz IIUWWJFDYOTEAQ-UHFFFAOYSA-N 1 0 438.540 0.507 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(=O)NC(C)C)CC1 ZINC001501903761 1070370701 /nfs/dbraw/zinc/37/07/01/1070370701.db2.gz IQJHPHRKOOZKFM-UHFFFAOYSA-N 1 0 443.556 0.250 20 0 ICADRO CCn1cnnc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001501903846 1070370419 /nfs/dbraw/zinc/37/04/19/1070370419.db2.gz LIARZMPPEFUUDA-UHFFFAOYSA-N 1 0 440.556 0.923 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccn(C)n2)CC1 ZINC001501903907 1070370658 /nfs/dbraw/zinc/37/06/58/1070370658.db2.gz NHIJQEUKSGKISP-KRWDZBQOSA-N 1 0 443.556 0.001 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccn(C)n2)CC1 ZINC001501903908 1070370941 /nfs/dbraw/zinc/37/09/41/1070370941.db2.gz NHIJQEUKSGKISP-QGZVFWFLSA-N 1 0 443.556 0.001 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(=O)N(C)C)CC1 ZINC001501903923 1070370981 /nfs/dbraw/zinc/37/09/81/1070370981.db2.gz NQMZXUVSYKHFOO-UHFFFAOYSA-N 1 0 428.541 0.419 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCC2)CC1 ZINC001501903945 1070370872 /nfs/dbraw/zinc/37/08/72/1070370872.db2.gz OOOJGOFEPNZBFR-INIZCTEOSA-N 1 0 433.557 0.135 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCC2)CC1 ZINC001501903946 1070370508 /nfs/dbraw/zinc/37/05/08/1070370508.db2.gz OOOJGOFEPNZBFR-MRXNPFEDSA-N 1 0 433.557 0.135 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501903972 1070371568 /nfs/dbraw/zinc/37/15/68/1070371568.db2.gz PKEMTGONMOHMNC-MRXNPFEDSA-N 1 0 428.541 0.542 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001501904011 1070371432 /nfs/dbraw/zinc/37/14/32/1070371432.db2.gz RHCBWRCUADKXFX-HTAPYJJXSA-N 1 0 447.584 0.381 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)C2CC2)CC1 ZINC001501904012 1070371907 /nfs/dbraw/zinc/37/19/07/1070371907.db2.gz RHCBWRCUADKXFX-JTSKRJEESA-N 1 0 447.584 0.381 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001501904013 1070372385 /nfs/dbraw/zinc/37/23/85/1070372385.db2.gz RHCBWRCUADKXFX-VGOFRKELSA-N 1 0 447.584 0.381 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C2CC2)CC1 ZINC001501904014 1070372186 /nfs/dbraw/zinc/37/21/86/1070372186.db2.gz RHCBWRCUADKXFX-VGSWGCGISA-N 1 0 447.584 0.381 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCOCC2)CC1 ZINC001501904022 1070372055 /nfs/dbraw/zinc/37/20/55/1070372055.db2.gz RSQUIZSPNIEGIA-GOSISDBHSA-N 1 0 447.584 0.646 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCOCC2)CC1 ZINC001501904023 1070371399 /nfs/dbraw/zinc/37/13/99/1070371399.db2.gz RSQUIZSPNIEGIA-SFHVURJKSA-N 1 0 447.584 0.646 20 0 ICADRO CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001501904080 1070372423 /nfs/dbraw/zinc/37/24/23/1070372423.db2.gz TXOZBJILEGXLOA-UHFFFAOYSA-N 1 0 430.557 0.742 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2COCCO2)CC1 ZINC001501904216 1070371873 /nfs/dbraw/zinc/37/18/73/1070371873.db2.gz YSXOWTLMQDACRL-KRWDZBQOSA-N 1 0 444.540 0.141 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2COCCO2)CC1 ZINC001501904217 1070372348 /nfs/dbraw/zinc/37/23/48/1070372348.db2.gz YSXOWTLMQDACRL-QGZVFWFLSA-N 1 0 444.540 0.141 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501904230 1070372011 /nfs/dbraw/zinc/37/20/11/1070372011.db2.gz ZQHGWXTUTMYUIO-GOSISDBHSA-N 1 0 440.552 0.609 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2ccnn2)CC1 ZINC001501904233 1070371617 /nfs/dbraw/zinc/37/16/17/1070371617.db2.gz ZSYBLXGBOUSSAN-UHFFFAOYSA-N 1 0 440.556 0.945 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@@H]2C)CC1 ZINC001501907006 1070371753 /nfs/dbraw/zinc/37/17/53/1070371753.db2.gz PWXSVPOQGKPQNU-BBWFWOEESA-N 1 0 438.598 0.752 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C)CC1 ZINC001501907007 1070372309 /nfs/dbraw/zinc/37/23/09/1070372309.db2.gz PWXSVPOQGKPQNU-BRWVUGGUSA-N 1 0 438.598 0.752 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001501907008 1070373052 /nfs/dbraw/zinc/37/30/52/1070373052.db2.gz PWXSVPOQGKPQNU-GVDBMIGSSA-N 1 0 438.598 0.752 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@H]2C)CC1 ZINC001501907009 1070372836 /nfs/dbraw/zinc/37/28/36/1070372836.db2.gz PWXSVPOQGKPQNU-ZACQAIPSSA-N 1 0 438.598 0.752 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NC(C)C)CC1 ZINC001501907018 1070372897 /nfs/dbraw/zinc/37/28/97/1070372897.db2.gz QAASSBAXNDLJPU-KRWDZBQOSA-N 1 0 435.573 0.297 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NC(C)C)CC1 ZINC001501907021 1070372794 /nfs/dbraw/zinc/37/27/94/1070372794.db2.gz QAASSBAXNDLJPU-QGZVFWFLSA-N 1 0 435.573 0.297 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)C)CC1 ZINC001501907593 1070373139 /nfs/dbraw/zinc/37/31/39/1070373139.db2.gz XVHZYTDUDKTXOV-UHFFFAOYSA-N 1 0 442.568 0.343 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CC)CC1 ZINC001501909853 1070372754 /nfs/dbraw/zinc/37/27/54/1070372754.db2.gz IILUTZHGIWLPIU-JOCHJYFZSA-N 1 0 449.600 0.552 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CC)CC1 ZINC001501909854 1070372578 /nfs/dbraw/zinc/37/25/78/1070372578.db2.gz IILUTZHGIWLPIU-QFIPXVFZSA-N 1 0 449.600 0.552 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NC)CC1 ZINC001501910658 1070373006 /nfs/dbraw/zinc/37/30/06/1070373006.db2.gz XABZJRQSYRZSKB-UHFFFAOYSA-N 1 0 442.568 0.390 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCS(C)(=O)=O)CC1 ZINC001501910727 1070372616 /nfs/dbraw/zinc/37/26/16/1070372616.db2.gz YOBBYQRMXOFFJR-MRXNPFEDSA-N 1 0 442.586 0.165 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C1 ZINC001501931055 1070373093 /nfs/dbraw/zinc/37/30/93/1070373093.db2.gz FNDDBMISIBLRAH-KBPBESRZSA-N 1 0 427.500 0.779 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C1 ZINC001501931056 1070372935 /nfs/dbraw/zinc/37/29/35/1070372935.db2.gz FNDDBMISIBLRAH-KGLIPLIRSA-N 1 0 427.500 0.779 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C1 ZINC001501931057 1070372712 /nfs/dbraw/zinc/37/27/12/1070372712.db2.gz FNDDBMISIBLRAH-UONOGXRCSA-N 1 0 427.500 0.779 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C1 ZINC001501931058 1070373172 /nfs/dbraw/zinc/37/31/72/1070373172.db2.gz FNDDBMISIBLRAH-ZIAGYGMSSA-N 1 0 427.500 0.779 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC)C1 ZINC001501931455 1070372732 /nfs/dbraw/zinc/37/27/32/1070372732.db2.gz JSNQPERNRYIASP-CVEARBPZSA-N 1 0 426.587 0.832 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC)C1 ZINC001501931456 1070372873 /nfs/dbraw/zinc/37/28/73/1070372873.db2.gz JSNQPERNRYIASP-HOTGVXAUSA-N 1 0 426.587 0.832 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC)C1 ZINC001501931457 1070373119 /nfs/dbraw/zinc/37/31/19/1070373119.db2.gz JSNQPERNRYIASP-HZPDHXFCSA-N 1 0 426.587 0.832 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC)C1 ZINC001501931458 1070372691 /nfs/dbraw/zinc/37/26/91/1070372691.db2.gz JSNQPERNRYIASP-JKSUJKDBSA-N 1 0 426.587 0.832 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001501932167 1070372984 /nfs/dbraw/zinc/37/29/84/1070372984.db2.gz RHUMHVMAGYHYMI-DLBZAZTESA-N 1 0 447.584 0.679 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001501932168 1070372655 /nfs/dbraw/zinc/37/26/55/1070372655.db2.gz RHUMHVMAGYHYMI-IAGOWNOFSA-N 1 0 447.584 0.679 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001501932169 1070372955 /nfs/dbraw/zinc/37/29/55/1070372955.db2.gz RHUMHVMAGYHYMI-IRXDYDNUSA-N 1 0 447.584 0.679 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001501932170 1070373540 /nfs/dbraw/zinc/37/35/40/1070373540.db2.gz RHUMHVMAGYHYMI-SJORKVTESA-N 1 0 447.584 0.679 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001501934357 1070373292 /nfs/dbraw/zinc/37/32/92/1070373292.db2.gz DPADODDCDMPAQO-DLBZAZTESA-N 1 0 428.603 0.842 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001501934358 1070373644 /nfs/dbraw/zinc/37/36/44/1070373644.db2.gz DPADODDCDMPAQO-IAGOWNOFSA-N 1 0 428.603 0.842 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001501934359 1070373385 /nfs/dbraw/zinc/37/33/85/1070373385.db2.gz DPADODDCDMPAQO-IRXDYDNUSA-N 1 0 428.603 0.842 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001501934360 1070373665 /nfs/dbraw/zinc/37/36/65/1070373665.db2.gz DPADODDCDMPAQO-SJORKVTESA-N 1 0 428.603 0.842 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 ZINC001501934653 1070373561 /nfs/dbraw/zinc/37/35/61/1070373561.db2.gz KGDYLWCLVYAYHR-ABSDTBQOSA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001501934654 1070373491 /nfs/dbraw/zinc/37/34/91/1070373491.db2.gz KGDYLWCLVYAYHR-QKLQHJQFSA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 ZINC001501934655 1070373348 /nfs/dbraw/zinc/37/33/48/1070373348.db2.gz KGDYLWCLVYAYHR-SQGPQFPESA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001501934656 1070373427 /nfs/dbraw/zinc/37/34/27/1070373427.db2.gz KGDYLWCLVYAYHR-ZWOKBUDYSA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001501941032 1070373469 /nfs/dbraw/zinc/37/34/69/1070373469.db2.gz AICDDHLWWKRQCC-KKUMJFAQSA-N 1 0 444.558 0.734 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001501941033 1070373324 /nfs/dbraw/zinc/37/33/24/1070373324.db2.gz AICDDHLWWKRQCC-RRFJBIMHSA-N 1 0 444.558 0.734 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001501941034 1070373312 /nfs/dbraw/zinc/37/33/12/1070373312.db2.gz AICDDHLWWKRQCC-SOUVJXGZSA-N 1 0 444.558 0.734 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001501941035 1070373605 /nfs/dbraw/zinc/37/36/05/1070373605.db2.gz AICDDHLWWKRQCC-ZNMIVQPWSA-N 1 0 444.558 0.734 20 0 ICADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001501941507 1070373405 /nfs/dbraw/zinc/37/34/05/1070373405.db2.gz MWYWXHVCUQNVML-KRWDZBQOSA-N 1 0 432.573 0.802 20 0 ICADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001501941508 1070373583 /nfs/dbraw/zinc/37/35/83/1070373583.db2.gz MWYWXHVCUQNVML-QGZVFWFLSA-N 1 0 432.573 0.802 20 0 ICADRO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001501941909 1070373519 /nfs/dbraw/zinc/37/35/19/1070373519.db2.gz WXBMBAFJOUZIDC-UHFFFAOYSA-N 1 0 449.600 0.641 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001501946935 1070373625 /nfs/dbraw/zinc/37/36/25/1070373625.db2.gz CIMFZSBIIDRXKF-KRWDZBQOSA-N 1 0 438.540 0.964 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001501946936 1070373687 /nfs/dbraw/zinc/37/36/87/1070373687.db2.gz CIMFZSBIIDRXKF-QGZVFWFLSA-N 1 0 438.540 0.964 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001501951613 1070373367 /nfs/dbraw/zinc/37/33/67/1070373367.db2.gz CBNZFMDFTJOJJA-KRWDZBQOSA-N 1 0 428.541 0.618 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001501951614 1070373448 /nfs/dbraw/zinc/37/34/48/1070373448.db2.gz CBNZFMDFTJOJJA-QGZVFWFLSA-N 1 0 428.541 0.618 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001501951763 1070374205 /nfs/dbraw/zinc/37/42/05/1070374205.db2.gz FZXFBXRAPCQTNS-UHFFFAOYSA-N 1 0 441.540 0.988 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001501951985 1070374168 /nfs/dbraw/zinc/37/41/68/1070374168.db2.gz JGNXIWGUKUFZCL-HNNXBMFYSA-N 1 0 427.575 0.043 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001501951987 1070374013 /nfs/dbraw/zinc/37/40/13/1070374013.db2.gz JGNXIWGUKUFZCL-OAHLLOKOSA-N 1 0 427.575 0.043 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001501952088 1070374264 /nfs/dbraw/zinc/37/42/64/1070374264.db2.gz KJAUERLCCJZDAK-HNNXBMFYSA-N 1 0 446.556 0.482 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001501952091 1070374282 /nfs/dbraw/zinc/37/42/82/1070374282.db2.gz KJAUERLCCJZDAK-OAHLLOKOSA-N 1 0 446.556 0.482 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001501952150 1070374186 /nfs/dbraw/zinc/37/41/86/1070374186.db2.gz LGDZVUSSFHKRQL-UHFFFAOYSA-N 1 0 443.556 0.931 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501952620 1070373973 /nfs/dbraw/zinc/37/39/73/1070373973.db2.gz SIJGGRQWIKNUDD-KRWDZBQOSA-N 1 0 434.589 0.171 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501952624 1070373993 /nfs/dbraw/zinc/37/39/93/1070373993.db2.gz SIJGGRQWIKNUDD-QGZVFWFLSA-N 1 0 434.589 0.171 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001501952733 1070373815 /nfs/dbraw/zinc/37/38/15/1070373815.db2.gz VOZXVGSINKSEDN-UHFFFAOYSA-N 1 0 436.586 0.939 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001501952860 1070373799 /nfs/dbraw/zinc/37/37/99/1070373799.db2.gz YISAJEFWKKODED-INIZCTEOSA-N 1 0 436.586 0.937 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001501954960 1070374040 /nfs/dbraw/zinc/37/40/40/1070374040.db2.gz MJWFFUXRZGARIQ-GOSISDBHSA-N 1 0 449.600 0.687 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001501954962 1070374059 /nfs/dbraw/zinc/37/40/59/1070374059.db2.gz MJWFFUXRZGARIQ-SFHVURJKSA-N 1 0 449.600 0.687 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 ZINC001501955532 1070374082 /nfs/dbraw/zinc/37/40/82/1070374082.db2.gz RKNGPPBFOKGDIA-DLBZAZTESA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001501955533 1070373954 /nfs/dbraw/zinc/37/39/54/1070373954.db2.gz RKNGPPBFOKGDIA-IAGOWNOFSA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 ZINC001501955534 1070373883 /nfs/dbraw/zinc/37/38/83/1070373883.db2.gz RKNGPPBFOKGDIA-IRXDYDNUSA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001501955535 1070374102 /nfs/dbraw/zinc/37/41/02/1070374102.db2.gz RKNGPPBFOKGDIA-SJORKVTESA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001501956057 1070374225 /nfs/dbraw/zinc/37/42/25/1070374225.db2.gz XNWUMUOTFYBKQF-CVEARBPZSA-N 1 0 447.627 0.535 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001501956058 1070373843 /nfs/dbraw/zinc/37/38/43/1070373843.db2.gz XNWUMUOTFYBKQF-HOTGVXAUSA-N 1 0 447.627 0.535 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001501956059 1070374123 /nfs/dbraw/zinc/37/41/23/1070374123.db2.gz XNWUMUOTFYBKQF-HZPDHXFCSA-N 1 0 447.627 0.535 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001501956060 1070373910 /nfs/dbraw/zinc/37/39/10/1070373910.db2.gz XNWUMUOTFYBKQF-JKSUJKDBSA-N 1 0 447.627 0.535 20 0 ICADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001501961218 1070374808 /nfs/dbraw/zinc/37/48/08/1070374808.db2.gz CMPPXVXNLCYAOV-INIZCTEOSA-N 1 0 426.587 0.756 20 0 ICADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001501961219 1070374575 /nfs/dbraw/zinc/37/45/75/1070374575.db2.gz CMPPXVXNLCYAOV-MRXNPFEDSA-N 1 0 426.587 0.756 20 0 ICADRO CC[NH+](CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501965189 1070374462 /nfs/dbraw/zinc/37/44/62/1070374462.db2.gz QYWABFWCJWQPGP-KRWDZBQOSA-N 1 0 448.572 0.086 20 0 ICADRO CC[NH+](CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501965190 1070374439 /nfs/dbraw/zinc/37/44/39/1070374439.db2.gz QYWABFWCJWQPGP-QGZVFWFLSA-N 1 0 448.572 0.086 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001501967460 1070374788 /nfs/dbraw/zinc/37/47/88/1070374788.db2.gz AXDRPYGNFJPQRH-DLBZAZTESA-N 1 0 448.572 0.144 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001501967461 1070374561 /nfs/dbraw/zinc/37/45/61/1070374561.db2.gz AXDRPYGNFJPQRH-IAGOWNOFSA-N 1 0 448.572 0.144 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001501967462 1070374482 /nfs/dbraw/zinc/37/44/82/1070374482.db2.gz AXDRPYGNFJPQRH-IRXDYDNUSA-N 1 0 448.572 0.144 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001501967463 1070374687 /nfs/dbraw/zinc/37/46/87/1070374687.db2.gz AXDRPYGNFJPQRH-SJORKVTESA-N 1 0 448.572 0.144 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 ZINC001501967740 1070374501 /nfs/dbraw/zinc/37/45/01/1070374501.db2.gz JJKUWNLCBVYJDK-INIZCTEOSA-N 1 0 437.545 0.476 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 ZINC001501967747 1070374412 /nfs/dbraw/zinc/37/44/12/1070374412.db2.gz JJKUWNLCBVYJDK-MRXNPFEDSA-N 1 0 437.545 0.476 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001501967905 1070374831 /nfs/dbraw/zinc/37/48/31/1070374831.db2.gz LDYMKGFEXJSPQJ-NRFANRHFSA-N 1 0 430.557 0.896 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001501967906 1070374711 /nfs/dbraw/zinc/37/47/11/1070374711.db2.gz LDYMKGFEXJSPQJ-OAQYLSRUSA-N 1 0 430.557 0.896 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 ZINC001501971160 1070374393 /nfs/dbraw/zinc/37/43/93/1070374393.db2.gz BXLODIBIESLBEH-KGLIPLIRSA-N 1 0 439.590 0.539 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 ZINC001501971161 1070374731 /nfs/dbraw/zinc/37/47/31/1070374731.db2.gz BXLODIBIESLBEH-ZIAGYGMSSA-N 1 0 439.590 0.539 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001501980569 1070374895 /nfs/dbraw/zinc/37/48/95/1070374895.db2.gz DRNZGCXWQDEYOE-GDBMZVCRSA-N 1 0 426.587 0.973 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001501980570 1070374849 /nfs/dbraw/zinc/37/48/49/1070374849.db2.gz DRNZGCXWQDEYOE-ZBFHGGJFSA-N 1 0 426.587 0.973 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001501982224 1070374648 /nfs/dbraw/zinc/37/46/48/1070374648.db2.gz FCJAWEBOSCPVFL-GQIGUUNPSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001501982225 1070374521 /nfs/dbraw/zinc/37/45/21/1070374521.db2.gz FCJAWEBOSCPVFL-GUXCAODWSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001501982226 1070374599 /nfs/dbraw/zinc/37/45/99/1070374599.db2.gz FCJAWEBOSCPVFL-JXXFODFXSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001501982227 1070374752 /nfs/dbraw/zinc/37/47/52/1070374752.db2.gz FCJAWEBOSCPVFL-QINHECLXSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501982384 1070375496 /nfs/dbraw/zinc/37/54/96/1070375496.db2.gz KGZZSNYJRVVZTP-BZUAXINKSA-N 1 0 439.586 0.124 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501982385 1070375049 /nfs/dbraw/zinc/37/50/49/1070375049.db2.gz KGZZSNYJRVVZTP-OAGGEKHMSA-N 1 0 439.586 0.124 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501982386 1070375252 /nfs/dbraw/zinc/37/52/52/1070375252.db2.gz KGZZSNYJRVVZTP-OWCLPIDISA-N 1 0 439.586 0.124 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501982387 1070375693 /nfs/dbraw/zinc/37/56/93/1070375693.db2.gz KGZZSNYJRVVZTP-PMPSAXMXSA-N 1 0 439.586 0.124 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001501982513 1070375360 /nfs/dbraw/zinc/37/53/60/1070375360.db2.gz MCWGGDHQVMOYMF-BZUAXINKSA-N 1 0 426.587 0.577 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001501982514 1070375396 /nfs/dbraw/zinc/37/53/96/1070375396.db2.gz MCWGGDHQVMOYMF-OAGGEKHMSA-N 1 0 426.587 0.577 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001501982517 1070375127 /nfs/dbraw/zinc/37/51/27/1070375127.db2.gz MCWGGDHQVMOYMF-OWCLPIDISA-N 1 0 426.587 0.577 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001501982519 1070375328 /nfs/dbraw/zinc/37/53/28/1070375328.db2.gz MCWGGDHQVMOYMF-PMPSAXMXSA-N 1 0 426.587 0.577 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001501983218 1070375215 /nfs/dbraw/zinc/37/52/15/1070375215.db2.gz ZENCVXKKWVYEMQ-NVXWUHKLSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001501983219 1070375727 /nfs/dbraw/zinc/37/57/27/1070375727.db2.gz ZENCVXKKWVYEMQ-WBVHZDCISA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001501985000 1070375664 /nfs/dbraw/zinc/37/56/64/1070375664.db2.gz CCQIFYRTKGQQOB-IAGOWNOFSA-N 1 0 432.573 0.687 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001501985001 1070375436 /nfs/dbraw/zinc/37/54/36/1070375436.db2.gz CCQIFYRTKGQQOB-SJORKVTESA-N 1 0 432.573 0.687 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501985102 1070375027 /nfs/dbraw/zinc/37/50/27/1070375027.db2.gz GLFYQQREPOAIMA-GOSISDBHSA-N 1 0 448.616 0.341 20 0 ICADRO CCN(Cc1cnn(C)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001502067751 1070376641 /nfs/dbraw/zinc/37/66/41/1070376641.db2.gz QVUCCUNDSFPPDF-BBTUJRGHSA-N 1 0 433.557 0.829 20 0 ICADRO CCN(Cc1cnn(C)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001502067752 1070376495 /nfs/dbraw/zinc/37/64/95/1070376495.db2.gz QVUCCUNDSFPPDF-WFXMLNOXSA-N 1 0 433.557 0.829 20 0 ICADRO CCN(CCCn1c(C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC001502179359 1070378443 /nfs/dbraw/zinc/37/84/43/1070378443.db2.gz DXQNTCGAVDKMDD-INIZCTEOSA-N 1 0 428.603 0.948 20 0 ICADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001502184605 1070380990 /nfs/dbraw/zinc/38/09/90/1070380990.db2.gz DULRZMYIZAQPEH-INIZCTEOSA-N 1 0 426.587 0.868 20 0 ICADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001502184606 1070380814 /nfs/dbraw/zinc/38/08/14/1070380814.db2.gz DULRZMYIZAQPEH-MRXNPFEDSA-N 1 0 426.587 0.868 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 ZINC001502184625 1070381285 /nfs/dbraw/zinc/38/12/85/1070381285.db2.gz FJBNWGCQELQUOB-HNNXBMFYSA-N 1 0 441.602 0.371 20 0 ICADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1)C1CC1 ZINC001502184802 1070381181 /nfs/dbraw/zinc/38/11/81/1070381181.db2.gz KBKHLVGAYSMHFD-UHFFFAOYSA-N 1 0 446.600 0.209 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC001502184988 1070381147 /nfs/dbraw/zinc/38/11/47/1070381147.db2.gz PKXYSVHYRJGKMA-GOSISDBHSA-N 1 0 449.600 0.974 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC001502184989 1070380867 /nfs/dbraw/zinc/38/08/67/1070380867.db2.gz PKXYSVHYRJGKMA-SFHVURJKSA-N 1 0 449.600 0.974 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1)C1CC1 ZINC001502184993 1070381089 /nfs/dbraw/zinc/38/10/89/1070381089.db2.gz PQMWEBUVGSMHMC-UHFFFAOYSA-N 1 0 432.573 0.895 20 0 ICADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001502185059 1070381357 /nfs/dbraw/zinc/38/13/57/1070381357.db2.gz RKDJTWAKYQKFTF-UHFFFAOYSA-N 1 0 431.463 0.725 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C ZINC001502185191 1070381399 /nfs/dbraw/zinc/38/13/99/1070381399.db2.gz XBUJJMCJTKHZJF-UHFFFAOYSA-N 1 0 448.572 0.667 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)C1CC1 ZINC001502185706 1070380754 /nfs/dbraw/zinc/38/07/54/1070380754.db2.gz MUJSYIPJTWWYFB-AUUYWEPGSA-N 1 0 441.602 0.335 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)C1CC1 ZINC001502185707 1070381214 /nfs/dbraw/zinc/38/12/14/1070381214.db2.gz MUJSYIPJTWWYFB-IFXJQAMLSA-N 1 0 441.602 0.335 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1)C1CC1 ZINC001502185708 1070381051 /nfs/dbraw/zinc/38/10/51/1070381051.db2.gz MUJSYIPJTWWYFB-KUHUBIRLSA-N 1 0 441.602 0.335 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1)C1CC1 ZINC001502185709 1070381251 /nfs/dbraw/zinc/38/12/51/1070381251.db2.gz MUJSYIPJTWWYFB-LIRRHRJNSA-N 1 0 441.602 0.335 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1)C1CC1 ZINC001502185753 1070380926 /nfs/dbraw/zinc/38/09/26/1070380926.db2.gz NZWRJXMBFCBDSO-AWEZNQCLSA-N 1 0 442.586 0.762 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1)C1CC1 ZINC001502185754 1070381632 /nfs/dbraw/zinc/38/16/32/1070381632.db2.gz NZWRJXMBFCBDSO-CQSZACIVSA-N 1 0 442.586 0.762 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1)C1CC1 ZINC001502185768 1070381702 /nfs/dbraw/zinc/38/17/02/1070381702.db2.gz OXXSRMQUSYMWQD-AUUYWEPGSA-N 1 0 439.586 0.232 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1)C1CC1 ZINC001502185769 1070382221 /nfs/dbraw/zinc/38/22/21/1070382221.db2.gz OXXSRMQUSYMWQD-IFXJQAMLSA-N 1 0 439.586 0.232 20 0 ICADRO 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CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001502291963 1070407571 /nfs/dbraw/zinc/40/75/71/1070407571.db2.gz JZDSGIMXAONQPN-MRXNPFEDSA-N 1 0 441.602 0.372 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001502292872 1070407642 /nfs/dbraw/zinc/40/76/42/1070407642.db2.gz YUKXCJVYARYTJG-KRWDZBQOSA-N 1 0 430.561 0.611 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001502292873 1070407388 /nfs/dbraw/zinc/40/73/88/1070407388.db2.gz YUKXCJVYARYTJG-QGZVFWFLSA-N 1 0 430.561 0.611 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502292930 1070407656 /nfs/dbraw/zinc/40/76/56/1070407656.db2.gz ZOJFHURXRONRPG-DLBZAZTESA-N 1 0 433.557 0.340 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502292931 1070407497 /nfs/dbraw/zinc/40/74/97/1070407497.db2.gz ZOJFHURXRONRPG-IAGOWNOFSA-N 1 0 433.557 0.340 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502292932 1070407550 /nfs/dbraw/zinc/40/75/50/1070407550.db2.gz ZOJFHURXRONRPG-IRXDYDNUSA-N 1 0 433.557 0.340 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502292933 1070407722 /nfs/dbraw/zinc/40/77/22/1070407722.db2.gz ZOJFHURXRONRPG-SJORKVTESA-N 1 0 433.557 0.340 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001502297039 1070407702 /nfs/dbraw/zinc/40/77/02/1070407702.db2.gz SIZQPMVFPMXYGY-MOPGFXCFSA-N 1 0 430.557 0.894 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001502297040 1070407683 /nfs/dbraw/zinc/40/76/83/1070407683.db2.gz SIZQPMVFPMXYGY-OALUTQOASA-N 1 0 430.557 0.894 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502297041 1070407473 /nfs/dbraw/zinc/40/74/73/1070407473.db2.gz SIZQPMVFPMXYGY-RBUKOAKNSA-N 1 0 430.557 0.894 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502297042 1070407589 /nfs/dbraw/zinc/40/75/89/1070407589.db2.gz SIZQPMVFPMXYGY-RTBURBONSA-N 1 0 430.557 0.894 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297157 1070407760 /nfs/dbraw/zinc/40/77/60/1070407760.db2.gz UUILKSSKIVMPJL-CABCVRRESA-N 1 0 427.575 0.089 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297158 1070407520 /nfs/dbraw/zinc/40/75/20/1070407520.db2.gz UUILKSSKIVMPJL-GJZGRUSLSA-N 1 0 427.575 0.089 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297159 1070407622 /nfs/dbraw/zinc/40/76/22/1070407622.db2.gz UUILKSSKIVMPJL-HUUCEWRRSA-N 1 0 427.575 0.089 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297160 1070407531 /nfs/dbraw/zinc/40/75/31/1070407531.db2.gz UUILKSSKIVMPJL-LSDHHAIUSA-N 1 0 427.575 0.089 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502297291 1070408362 /nfs/dbraw/zinc/40/83/62/1070408362.db2.gz WJQVLQNGAXZGNA-GOSISDBHSA-N 1 0 430.557 0.848 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502297292 1070408466 /nfs/dbraw/zinc/40/84/66/1070408466.db2.gz WJQVLQNGAXZGNA-SFHVURJKSA-N 1 0 430.557 0.848 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001502297499 1070408377 /nfs/dbraw/zinc/40/83/77/1070408377.db2.gz ZZOIKFXNKDLRIC-BRWVUGGUSA-N 1 0 438.598 0.722 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001502297500 1070408484 /nfs/dbraw/zinc/40/84/84/1070408484.db2.gz ZZOIKFXNKDLRIC-GVDBMIGSSA-N 1 0 438.598 0.722 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001502297501 1070408299 /nfs/dbraw/zinc/40/82/99/1070408299.db2.gz ZZOIKFXNKDLRIC-IXDOHACOSA-N 1 0 438.598 0.722 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001502297502 1070408222 /nfs/dbraw/zinc/40/82/22/1070408222.db2.gz ZZOIKFXNKDLRIC-YESZJQIVSA-N 1 0 438.598 0.722 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O ZINC001502299729 1070408421 /nfs/dbraw/zinc/40/84/21/1070408421.db2.gz RJRNBHWNXOJUMB-INIZCTEOSA-N 1 0 426.587 0.756 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O ZINC001502299730 1070408440 /nfs/dbraw/zinc/40/84/40/1070408440.db2.gz RJRNBHWNXOJUMB-MRXNPFEDSA-N 1 0 426.587 0.756 20 0 ICADRO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502301708 1070408327 /nfs/dbraw/zinc/40/83/27/1070408327.db2.gz NZEBEOWHNSFCBS-CABCVRRESA-N 1 0 441.602 0.430 20 0 ICADRO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502301709 1070408454 /nfs/dbraw/zinc/40/84/54/1070408454.db2.gz NZEBEOWHNSFCBS-GJZGRUSLSA-N 1 0 441.602 0.430 20 0 ICADRO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502301710 1070409227 /nfs/dbraw/zinc/40/92/27/1070409227.db2.gz NZEBEOWHNSFCBS-HUUCEWRRSA-N 1 0 441.602 0.430 20 0 ICADRO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502301711 1070409316 /nfs/dbraw/zinc/40/93/16/1070409316.db2.gz NZEBEOWHNSFCBS-LSDHHAIUSA-N 1 0 441.602 0.430 20 0 ICADRO CCN1CCCN(c2nnc(-c3cnccn3)n2CCCC[NH+]2CCOCC2)CC1=O ZINC001502304657 1070410037 /nfs/dbraw/zinc/41/00/37/1070410037.db2.gz SZRZGYWBGHROTC-UHFFFAOYSA-N 1 0 428.541 0.906 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001502305766 1070410800 /nfs/dbraw/zinc/41/08/00/1070410800.db2.gz CXNMFWZJTTWNDK-INIZCTEOSA-N 1 0 440.614 0.827 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001502305767 1070410623 /nfs/dbraw/zinc/41/06/23/1070410623.db2.gz CXNMFWZJTTWNDK-MRXNPFEDSA-N 1 0 440.614 0.827 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502305922 1070410878 /nfs/dbraw/zinc/41/08/78/1070410878.db2.gz IJWXQGXGJKUQOC-CVEARBPZSA-N 1 0 438.598 0.722 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502305923 1070410665 /nfs/dbraw/zinc/41/06/65/1070410665.db2.gz IJWXQGXGJKUQOC-HOTGVXAUSA-N 1 0 438.598 0.722 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502305924 1070410721 /nfs/dbraw/zinc/41/07/21/1070410721.db2.gz IJWXQGXGJKUQOC-HZPDHXFCSA-N 1 0 438.598 0.722 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC001502305925 1070410824 /nfs/dbraw/zinc/41/08/24/1070410824.db2.gz IJWXQGXGJKUQOC-JKSUJKDBSA-N 1 0 438.598 0.722 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001502309120 1070412448 /nfs/dbraw/zinc/41/24/48/1070412448.db2.gz VRRYPTMEVLIQCD-DJPFJPOOSA-N 1 0 436.557 0.127 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001502309121 1070412268 /nfs/dbraw/zinc/41/22/68/1070412268.db2.gz VRRYPTMEVLIQCD-MDKPJZGXSA-N 1 0 436.557 0.127 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001502309237 1070412406 /nfs/dbraw/zinc/41/24/06/1070412406.db2.gz AGXCANJBXZPEGP-KRWDZBQOSA-N 1 0 436.605 0.403 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001502309238 1070412350 /nfs/dbraw/zinc/41/23/50/1070412350.db2.gz AGXCANJBXZPEGP-QGZVFWFLSA-N 1 0 436.605 0.403 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309342 1070412331 /nfs/dbraw/zinc/41/23/31/1070412331.db2.gz CEYMFEJGZVZKIP-CADBVGFASA-N 1 0 438.573 0.590 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309343 1070412499 /nfs/dbraw/zinc/41/24/99/1070412499.db2.gz CEYMFEJGZVZKIP-HCXYKTFWSA-N 1 0 438.573 0.590 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309344 1070413301 /nfs/dbraw/zinc/41/33/01/1070413301.db2.gz CEYMFEJGZVZKIP-MKXGPGLRSA-N 1 0 438.573 0.590 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309345 1070413222 /nfs/dbraw/zinc/41/32/22/1070413222.db2.gz CEYMFEJGZVZKIP-ZSYWTGECSA-N 1 0 438.573 0.590 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502309346 1070413147 /nfs/dbraw/zinc/41/31/47/1070413147.db2.gz CFKDAXKCAAQQBY-HTAPYJJXSA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502309347 1070413272 /nfs/dbraw/zinc/41/32/72/1070413272.db2.gz CFKDAXKCAAQQBY-JTSKRJEESA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502309348 1070413241 /nfs/dbraw/zinc/41/32/41/1070413241.db2.gz CFKDAXKCAAQQBY-VGOFRKELSA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502309349 1070413292 /nfs/dbraw/zinc/41/32/92/1070413292.db2.gz CFKDAXKCAAQQBY-VGSWGCGISA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC001502309355 1070413186 /nfs/dbraw/zinc/41/31/86/1070413186.db2.gz CMAMJJJNDCQBNR-GOSISDBHSA-N 1 0 435.617 0.982 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC001502309356 1070413232 /nfs/dbraw/zinc/41/32/32/1070413232.db2.gz CMAMJJJNDCQBNR-SFHVURJKSA-N 1 0 435.617 0.982 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502309595 1070413196 /nfs/dbraw/zinc/41/31/96/1070413196.db2.gz IZETVEDMZVXULS-DLBZAZTESA-N 1 0 434.589 0.240 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502309596 1070413177 /nfs/dbraw/zinc/41/31/77/1070413177.db2.gz IZETVEDMZVXULS-IAGOWNOFSA-N 1 0 434.589 0.240 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502309597 1070413280 /nfs/dbraw/zinc/41/32/80/1070413280.db2.gz IZETVEDMZVXULS-IRXDYDNUSA-N 1 0 434.589 0.240 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502309598 1070413252 /nfs/dbraw/zinc/41/32/52/1070413252.db2.gz IZETVEDMZVXULS-SJORKVTESA-N 1 0 434.589 0.240 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309774 1070413312 /nfs/dbraw/zinc/41/33/12/1070413312.db2.gz MOLMHTSPZAXPKF-DLBZAZTESA-N 1 0 425.603 0.681 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309775 1070413211 /nfs/dbraw/zinc/41/32/11/1070413211.db2.gz MOLMHTSPZAXPKF-IAGOWNOFSA-N 1 0 425.603 0.681 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309776 1070413154 /nfs/dbraw/zinc/41/31/54/1070413154.db2.gz MOLMHTSPZAXPKF-IRXDYDNUSA-N 1 0 425.603 0.681 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309777 1070413258 /nfs/dbraw/zinc/41/32/58/1070413258.db2.gz MOLMHTSPZAXPKF-SJORKVTESA-N 1 0 425.603 0.681 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502309825 1070413165 /nfs/dbraw/zinc/41/31/65/1070413165.db2.gz NOGXYXVWCOMQDG-INIZCTEOSA-N 1 0 427.619 0.378 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502309826 1070413202 /nfs/dbraw/zinc/41/32/02/1070413202.db2.gz NOGXYXVWCOMQDG-MRXNPFEDSA-N 1 0 427.619 0.378 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502310159 1070413227 /nfs/dbraw/zinc/41/32/27/1070413227.db2.gz UALYKGVLBOMSAO-KRWDZBQOSA-N 1 0 448.616 0.405 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502310160 1070413343 /nfs/dbraw/zinc/41/33/43/1070413343.db2.gz UALYKGVLBOMSAO-QGZVFWFLSA-N 1 0 448.616 0.405 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502310348 1070414033 /nfs/dbraw/zinc/41/40/33/1070414033.db2.gz XUFYIPUTBOSKKA-KRWDZBQOSA-N 1 0 448.616 0.534 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502310349 1070414120 /nfs/dbraw/zinc/41/41/20/1070414120.db2.gz XUFYIPUTBOSKKA-QGZVFWFLSA-N 1 0 448.616 0.534 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502311165 1070414194 /nfs/dbraw/zinc/41/41/94/1070414194.db2.gz NVUFIEWCLULSCY-GOSISDBHSA-N 1 0 434.589 0.187 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502311166 1070414130 /nfs/dbraw/zinc/41/41/30/1070414130.db2.gz NVUFIEWCLULSCY-SFHVURJKSA-N 1 0 434.589 0.187 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311503 1070414248 /nfs/dbraw/zinc/41/42/48/1070414248.db2.gz UGJPRVKSDBCQMA-HKUYNNGSSA-N 1 0 441.646 0.720 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311504 1070414302 /nfs/dbraw/zinc/41/43/02/1070414302.db2.gz UGJPRVKSDBCQMA-IEBWSBKVSA-N 1 0 441.646 0.720 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311505 1070414062 /nfs/dbraw/zinc/41/40/62/1070414062.db2.gz UGJPRVKSDBCQMA-MJGOQNOKSA-N 1 0 441.646 0.720 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311506 1070414015 /nfs/dbraw/zinc/41/40/15/1070414015.db2.gz UGJPRVKSDBCQMA-PKOBYXMFSA-N 1 0 441.646 0.720 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311857 1070414148 /nfs/dbraw/zinc/41/41/48/1070414148.db2.gz AJDHGONPMRVEML-MSOLQXFVSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311858 1070414096 /nfs/dbraw/zinc/41/40/96/1070414096.db2.gz AJDHGONPMRVEML-QZTJIDSGSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311859 1070414289 /nfs/dbraw/zinc/41/42/89/1070414289.db2.gz AJDHGONPMRVEML-ROUUACIJSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311860 1070414048 /nfs/dbraw/zinc/41/40/48/1070414048.db2.gz AJDHGONPMRVEML-ZWKOTPCHSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311991 1070414348 /nfs/dbraw/zinc/41/43/48/1070414348.db2.gz CMHQGVPPWMDQEN-FGTMMUONSA-N 1 0 446.600 0.218 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311992 1070414170 /nfs/dbraw/zinc/41/41/70/1070414170.db2.gz CMHQGVPPWMDQEN-KURKYZTESA-N 1 0 446.600 0.218 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311993 1070415335 /nfs/dbraw/zinc/41/53/35/1070415335.db2.gz CMHQGVPPWMDQEN-KZNAEPCWSA-N 1 0 446.600 0.218 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311994 1070415298 /nfs/dbraw/zinc/41/52/98/1070415298.db2.gz CMHQGVPPWMDQEN-SQNIBIBYSA-N 1 0 446.600 0.218 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312007 1070415246 /nfs/dbraw/zinc/41/52/46/1070415246.db2.gz CYLPUXAXMQLDQX-FGTMMUONSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312008 1070415181 /nfs/dbraw/zinc/41/51/81/1070415181.db2.gz CYLPUXAXMQLDQX-KURKYZTESA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312009 1070415321 /nfs/dbraw/zinc/41/53/21/1070415321.db2.gz CYLPUXAXMQLDQX-KZNAEPCWSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312010 1070415285 /nfs/dbraw/zinc/41/52/85/1070415285.db2.gz CYLPUXAXMQLDQX-SQNIBIBYSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502312099 1070415207 /nfs/dbraw/zinc/41/52/07/1070415207.db2.gz GAPOLUSUMGKPNZ-MSOLQXFVSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502312100 1070415225 /nfs/dbraw/zinc/41/52/25/1070415225.db2.gz GAPOLUSUMGKPNZ-QZTJIDSGSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502312101 1070415079 /nfs/dbraw/zinc/41/50/79/1070415079.db2.gz GAPOLUSUMGKPNZ-ROUUACIJSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502312102 1070415137 /nfs/dbraw/zinc/41/51/37/1070415137.db2.gz GAPOLUSUMGKPNZ-ZWKOTPCHSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502312349 1070415169 /nfs/dbraw/zinc/41/51/69/1070415169.db2.gz KLSKBZQIAOEDDP-HTAPYJJXSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502312350 1070415121 /nfs/dbraw/zinc/41/51/21/1070415121.db2.gz KLSKBZQIAOEDDP-JTSKRJEESA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502312351 1070415352 /nfs/dbraw/zinc/41/53/52/1070415352.db2.gz KLSKBZQIAOEDDP-VGOFRKELSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502312352 1070415271 /nfs/dbraw/zinc/41/52/71/1070415271.db2.gz KLSKBZQIAOEDDP-VGSWGCGISA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312371 1070415155 /nfs/dbraw/zinc/41/51/55/1070415155.db2.gz KUDHBUQFXDIYNR-MSOLQXFVSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312372 1070415014 /nfs/dbraw/zinc/41/50/14/1070415014.db2.gz KUDHBUQFXDIYNR-QZTJIDSGSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312373 1070416169 /nfs/dbraw/zinc/41/61/69/1070416169.db2.gz KUDHBUQFXDIYNR-ROUUACIJSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312374 1070416091 /nfs/dbraw/zinc/41/60/91/1070416091.db2.gz KUDHBUQFXDIYNR-ZWKOTPCHSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502312473 1070416266 /nfs/dbraw/zinc/41/62/66/1070416266.db2.gz MXZDCFPITIQBFW-MSOLQXFVSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502312474 1070416282 /nfs/dbraw/zinc/41/62/82/1070416282.db2.gz MXZDCFPITIQBFW-QZTJIDSGSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502312475 1070416100 /nfs/dbraw/zinc/41/61/00/1070416100.db2.gz MXZDCFPITIQBFW-ROUUACIJSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502312476 1070416043 /nfs/dbraw/zinc/41/60/43/1070416043.db2.gz MXZDCFPITIQBFW-ZWKOTPCHSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502312639 1070416189 /nfs/dbraw/zinc/41/61/89/1070416189.db2.gz PSJAWEUKSGRTDA-GOSISDBHSA-N 1 0 447.609 0.909 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502312640 1070415968 /nfs/dbraw/zinc/41/59/68/1070415968.db2.gz PSJAWEUKSGRTDA-SFHVURJKSA-N 1 0 447.609 0.909 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502312669 1070416325 /nfs/dbraw/zinc/41/63/25/1070416325.db2.gz PZJXIXSEBAFFJX-DLBZAZTESA-N 1 0 429.573 0.579 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502312670 1070416298 /nfs/dbraw/zinc/41/62/98/1070416298.db2.gz PZJXIXSEBAFFJX-IAGOWNOFSA-N 1 0 429.573 0.579 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502312671 1070416131 /nfs/dbraw/zinc/41/61/31/1070416131.db2.gz PZJXIXSEBAFFJX-IRXDYDNUSA-N 1 0 429.573 0.579 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502312672 1070416023 /nfs/dbraw/zinc/41/60/23/1070416023.db2.gz PZJXIXSEBAFFJX-SJORKVTESA-N 1 0 429.573 0.579 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502312769 1070416234 /nfs/dbraw/zinc/41/62/34/1070416234.db2.gz SBRYHGSPIYVJJV-GOSISDBHSA-N 1 0 432.617 0.392 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502312770 1070416247 /nfs/dbraw/zinc/41/62/47/1070416247.db2.gz SBRYHGSPIYVJJV-SFHVURJKSA-N 1 0 432.617 0.392 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312819 1070416080 /nfs/dbraw/zinc/41/60/80/1070416080.db2.gz SUNPZFMFIWQBAH-MSOLQXFVSA-N 1 0 441.584 0.853 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312820 1070416203 /nfs/dbraw/zinc/41/62/03/1070416203.db2.gz SUNPZFMFIWQBAH-QZTJIDSGSA-N 1 0 441.584 0.853 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312821 1070416060 /nfs/dbraw/zinc/41/60/60/1070416060.db2.gz SUNPZFMFIWQBAH-ROUUACIJSA-N 1 0 441.584 0.853 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312822 1070416149 /nfs/dbraw/zinc/41/61/49/1070416149.db2.gz SUNPZFMFIWQBAH-ZWKOTPCHSA-N 1 0 441.584 0.853 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502313011 1070416220 /nfs/dbraw/zinc/41/62/20/1070416220.db2.gz WNQOAYBDFJYATN-HKUYNNGSSA-N 1 0 444.584 0.261 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502313012 1070416311 /nfs/dbraw/zinc/41/63/11/1070416311.db2.gz WNQOAYBDFJYATN-IEBWSBKVSA-N 1 0 444.584 0.261 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502313013 1070417370 /nfs/dbraw/zinc/41/73/70/1070417370.db2.gz WNQOAYBDFJYATN-MJGOQNOKSA-N 1 0 444.584 0.261 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502313014 1070417256 /nfs/dbraw/zinc/41/72/56/1070417256.db2.gz WNQOAYBDFJYATN-PKOBYXMFSA-N 1 0 444.584 0.261 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001502313201 1070417027 /nfs/dbraw/zinc/41/70/27/1070417027.db2.gz ZWIFQGODTHUTQZ-KRWDZBQOSA-N 1 0 429.573 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001502313202 1070417074 /nfs/dbraw/zinc/41/70/74/1070417074.db2.gz ZWIFQGODTHUTQZ-QGZVFWFLSA-N 1 0 429.573 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502313471 1070417179 /nfs/dbraw/zinc/41/71/79/1070417179.db2.gz FEHGTOFOWXBZQD-FGSXEWAUSA-N 1 0 433.601 0.770 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502313472 1070417326 /nfs/dbraw/zinc/41/73/26/1070417326.db2.gz FEHGTOFOWXBZQD-HMFYCAOWSA-N 1 0 433.601 0.770 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502313473 1070417101 /nfs/dbraw/zinc/41/71/01/1070417101.db2.gz FEHGTOFOWXBZQD-JBYIUTFZSA-N 1 0 433.601 0.770 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502313474 1070417053 /nfs/dbraw/zinc/41/70/53/1070417053.db2.gz FEHGTOFOWXBZQD-KGVIQGDOSA-N 1 0 433.601 0.770 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313495 1070417194 /nfs/dbraw/zinc/41/71/94/1070417194.db2.gz FRNKNTMMSFWBTK-CEXWTWQISA-N 1 0 433.601 0.900 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313496 1070417313 /nfs/dbraw/zinc/41/73/13/1070417313.db2.gz FRNKNTMMSFWBTK-FHWLQOOXSA-N 1 0 433.601 0.900 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313497 1070417130 /nfs/dbraw/zinc/41/71/30/1070417130.db2.gz FRNKNTMMSFWBTK-GBESFXJTSA-N 1 0 433.601 0.900 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313498 1070417223 /nfs/dbraw/zinc/41/72/23/1070417223.db2.gz FRNKNTMMSFWBTK-QYZOEREBSA-N 1 0 433.601 0.900 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCNC(=O)C2)CC1 ZINC001502313581 1070417159 /nfs/dbraw/zinc/41/71/59/1070417159.db2.gz HDJSWGLBTUAEJN-GOSISDBHSA-N 1 0 441.580 0.840 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCNC(=O)C2)CC1 ZINC001502313582 1070417278 /nfs/dbraw/zinc/41/72/78/1070417278.db2.gz HDJSWGLBTUAEJN-SFHVURJKSA-N 1 0 441.580 0.840 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001502313695 1070417362 /nfs/dbraw/zinc/41/73/62/1070417362.db2.gz JDGIYOILGOXFDR-FGTMMUONSA-N 1 0 442.630 0.677 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001502313696 1070417212 /nfs/dbraw/zinc/41/72/12/1070417212.db2.gz JDGIYOILGOXFDR-KURKYZTESA-N 1 0 442.630 0.677 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001502313697 1070416988 /nfs/dbraw/zinc/41/69/88/1070416988.db2.gz JDGIYOILGOXFDR-KZNAEPCWSA-N 1 0 442.630 0.677 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001502313698 1070417300 /nfs/dbraw/zinc/41/73/00/1070417300.db2.gz JDGIYOILGOXFDR-SQNIBIBYSA-N 1 0 442.630 0.677 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313825 1070417347 /nfs/dbraw/zinc/41/73/47/1070417347.db2.gz KXTMRVFBEXVPFR-MSOLQXFVSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313826 1070417243 /nfs/dbraw/zinc/41/72/43/1070417243.db2.gz KXTMRVFBEXVPFR-QZTJIDSGSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313827 1070418053 /nfs/dbraw/zinc/41/80/53/1070418053.db2.gz KXTMRVFBEXVPFR-ROUUACIJSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313828 1070418117 /nfs/dbraw/zinc/41/81/17/1070418117.db2.gz KXTMRVFBEXVPFR-ZWKOTPCHSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502313921 1070418127 /nfs/dbraw/zinc/41/81/27/1070418127.db2.gz MRCUCBTVIZJJII-HOJAQTOUSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502313922 1070418074 /nfs/dbraw/zinc/41/80/74/1070418074.db2.gz MRCUCBTVIZJJII-MISYRCLQSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502313923 1070417957 /nfs/dbraw/zinc/41/79/57/1070417957.db2.gz MRCUCBTVIZJJII-RLLQIKCJSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502313924 1070417913 /nfs/dbraw/zinc/41/79/13/1070417913.db2.gz MRCUCBTVIZJJII-YZGWKJHDSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314085 1070417890 /nfs/dbraw/zinc/41/78/90/1070417890.db2.gz PGQHKWXBDPLFIL-MSOLQXFVSA-N 1 0 434.589 0.269 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314086 1070418038 /nfs/dbraw/zinc/41/80/38/1070418038.db2.gz PGQHKWXBDPLFIL-QZTJIDSGSA-N 1 0 434.589 0.269 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314087 1070418165 /nfs/dbraw/zinc/41/81/65/1070418165.db2.gz PGQHKWXBDPLFIL-ROUUACIJSA-N 1 0 434.589 0.269 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314088 1070418001 /nfs/dbraw/zinc/41/80/01/1070418001.db2.gz PGQHKWXBDPLFIL-ZWKOTPCHSA-N 1 0 434.589 0.269 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314115 1070418062 /nfs/dbraw/zinc/41/80/62/1070418062.db2.gz PYVDTFYNKQXHDD-AZUAARDMSA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314116 1070417981 /nfs/dbraw/zinc/41/79/81/1070417981.db2.gz PYVDTFYNKQXHDD-ICSRJNTNSA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314117 1070418089 /nfs/dbraw/zinc/41/80/89/1070418089.db2.gz PYVDTFYNKQXHDD-QUCCMNQESA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314118 1070418015 /nfs/dbraw/zinc/41/80/15/1070418015.db2.gz PYVDTFYNKQXHDD-UYAOXDASSA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314177 1070418152 /nfs/dbraw/zinc/41/81/52/1070418152.db2.gz QRHLXUDUPOUIFC-HKUYNNGSSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314178 1070417934 /nfs/dbraw/zinc/41/79/34/1070417934.db2.gz QRHLXUDUPOUIFC-IEBWSBKVSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314179 1070418102 /nfs/dbraw/zinc/41/81/02/1070418102.db2.gz QRHLXUDUPOUIFC-MJGOQNOKSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314180 1070418189 /nfs/dbraw/zinc/41/81/89/1070418189.db2.gz QRHLXUDUPOUIFC-PKOBYXMFSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502314809 1070418178 /nfs/dbraw/zinc/41/81/78/1070418178.db2.gz BLLVRWQXMCSXAW-MOPGFXCFSA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502314810 1070418140 /nfs/dbraw/zinc/41/81/40/1070418140.db2.gz BLLVRWQXMCSXAW-OALUTQOASA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502314811 1070418918 /nfs/dbraw/zinc/41/89/18/1070418918.db2.gz BLLVRWQXMCSXAW-RBUKOAKNSA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502314812 1070418984 /nfs/dbraw/zinc/41/89/84/1070418984.db2.gz BLLVRWQXMCSXAW-RTBURBONSA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314855 1070419049 /nfs/dbraw/zinc/41/90/49/1070419049.db2.gz CGKIELMPXMYLLD-AZUAARDMSA-N 1 0 447.628 0.988 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314856 1070419209 /nfs/dbraw/zinc/41/92/09/1070419209.db2.gz CGKIELMPXMYLLD-ICSRJNTNSA-N 1 0 447.628 0.988 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314857 1070418952 /nfs/dbraw/zinc/41/89/52/1070418952.db2.gz CGKIELMPXMYLLD-QUCCMNQESA-N 1 0 447.628 0.988 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314858 1070419023 /nfs/dbraw/zinc/41/90/23/1070419023.db2.gz CGKIELMPXMYLLD-UYAOXDASSA-N 1 0 447.628 0.988 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502314939 1070419015 /nfs/dbraw/zinc/41/90/15/1070419015.db2.gz DNUHVCJFPBIMDC-MSOLQXFVSA-N 1 0 428.585 0.990 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502314940 1070418939 /nfs/dbraw/zinc/41/89/39/1070418939.db2.gz DNUHVCJFPBIMDC-QZTJIDSGSA-N 1 0 428.585 0.990 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502314941 1070419040 /nfs/dbraw/zinc/41/90/40/1070419040.db2.gz DNUHVCJFPBIMDC-ROUUACIJSA-N 1 0 428.585 0.990 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502314942 1070419147 /nfs/dbraw/zinc/41/91/47/1070419147.db2.gz DNUHVCJFPBIMDC-ZWKOTPCHSA-N 1 0 428.585 0.990 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502314993 1070419072 /nfs/dbraw/zinc/41/90/72/1070419072.db2.gz FDVWCJMOVPYHMY-KRWDZBQOSA-N 1 0 433.601 0.727 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502314994 1070419177 /nfs/dbraw/zinc/41/91/77/1070419177.db2.gz FDVWCJMOVPYHMY-QGZVFWFLSA-N 1 0 433.601 0.727 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315181 1070418894 /nfs/dbraw/zinc/41/88/94/1070418894.db2.gz ILKXRXSOWIKDHT-FXAWDEMLSA-N 1 0 433.601 0.598 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315182 1070418972 /nfs/dbraw/zinc/41/89/72/1070418972.db2.gz ILKXRXSOWIKDHT-PXNSSMCTSA-N 1 0 433.601 0.598 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315183 1070419236 /nfs/dbraw/zinc/41/92/36/1070419236.db2.gz ILKXRXSOWIKDHT-XLIONFOSSA-N 1 0 433.601 0.598 20 0 ICADRO 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CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502334844 1070425999 /nfs/dbraw/zinc/42/59/99/1070425999.db2.gz SUCLCECCOPISBC-IBGZPJMESA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502334845 1070425887 /nfs/dbraw/zinc/42/58/87/1070425887.db2.gz SUCLCECCOPISBC-LJQANCHMSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502334854 1070426046 /nfs/dbraw/zinc/42/60/46/1070426046.db2.gz TXLPGBGNXIHTHT-GOSISDBHSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502334855 1070425974 /nfs/dbraw/zinc/42/59/74/1070425974.db2.gz TXLPGBGNXIHTHT-SFHVURJKSA-N 1 0 443.600 0.667 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502335097 1070425899 /nfs/dbraw/zinc/42/58/99/1070425899.db2.gz ADOLHRMBHWCACW-GOSISDBHSA-N 1 0 441.646 0.632 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502335098 1070426129 /nfs/dbraw/zinc/42/61/29/1070426129.db2.gz ADOLHRMBHWCACW-SFHVURJKSA-N 1 0 441.646 0.632 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NC(C)C)C2)CC1 ZINC001502335517 1070426092 /nfs/dbraw/zinc/42/60/92/1070426092.db2.gz KTYJGFRVVKAFMB-GOSISDBHSA-N 1 0 446.600 0.141 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NC(C)C)C2)CC1 ZINC001502335518 1070425875 /nfs/dbraw/zinc/42/58/75/1070425875.db2.gz KTYJGFRVVKAFMB-SFHVURJKSA-N 1 0 446.600 0.141 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCOCC3)C2)CC1 ZINC001502335739 1070425914 /nfs/dbraw/zinc/42/59/14/1070425914.db2.gz PFERWAJOLWNSKZ-FQEVSTJZSA-N 1 0 447.628 0.942 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCOCC3)C2)CC1 ZINC001502335740 1070426993 /nfs/dbraw/zinc/42/69/93/1070426993.db2.gz PFERWAJOLWNSKZ-HXUWFJFHSA-N 1 0 447.628 0.942 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335789 1070426643 /nfs/dbraw/zinc/42/66/43/1070426643.db2.gz QUISJJQFYGBQDL-GOSISDBHSA-N 1 0 446.625 0.938 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335790 1070426610 /nfs/dbraw/zinc/42/66/10/1070426610.db2.gz QUISJJQFYGBQDL-SFHVURJKSA-N 1 0 446.625 0.938 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502336307 1070426950 /nfs/dbraw/zinc/42/69/50/1070426950.db2.gz XRDOVPITXSLCHR-GOSISDBHSA-N 1 0 441.646 0.632 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502336308 1070426777 /nfs/dbraw/zinc/42/67/77/1070426777.db2.gz XRDOVPITXSLCHR-SFHVURJKSA-N 1 0 441.646 0.632 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502337277 1070426968 /nfs/dbraw/zinc/42/69/68/1070426968.db2.gz FNJVJJMVPCHKQH-MSOLQXFVSA-N 1 0 448.616 0.392 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502337278 1070426836 /nfs/dbraw/zinc/42/68/36/1070426836.db2.gz FNJVJJMVPCHKQH-ROUUACIJSA-N 1 0 448.616 0.392 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502337358 1070427030 /nfs/dbraw/zinc/42/70/30/1070427030.db2.gz HCVVDQLIRMKVLY-MSOLQXFVSA-N 1 0 446.600 0.099 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502337359 1070426891 /nfs/dbraw/zinc/42/68/91/1070426891.db2.gz HCVVDQLIRMKVLY-QZTJIDSGSA-N 1 0 446.600 0.099 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502337360 1070427044 /nfs/dbraw/zinc/42/70/44/1070427044.db2.gz HCVVDQLIRMKVLY-ROUUACIJSA-N 1 0 446.600 0.099 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502337361 1070426912 /nfs/dbraw/zinc/42/69/12/1070426912.db2.gz HCVVDQLIRMKVLY-ZWKOTPCHSA-N 1 0 446.600 0.099 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502337830 1070427713 /nfs/dbraw/zinc/42/77/13/1070427713.db2.gz OWCMOOBMOJWXGK-FQEVSTJZSA-N 1 0 446.644 0.605 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502337831 1070427826 /nfs/dbraw/zinc/42/78/26/1070427826.db2.gz OWCMOOBMOJWXGK-HXUWFJFHSA-N 1 0 446.644 0.605 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337851 1070427807 /nfs/dbraw/zinc/42/78/07/1070427807.db2.gz PBGLBQCVGNSKGZ-KRWDZBQOSA-N 1 0 429.573 0.447 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337852 1070427842 /nfs/dbraw/zinc/42/78/42/1070427842.db2.gz PBGLBQCVGNSKGZ-QGZVFWFLSA-N 1 0 429.573 0.447 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502338519 1070427729 /nfs/dbraw/zinc/42/77/29/1070427729.db2.gz WZEFRLPRNCRYJR-KRWDZBQOSA-N 1 0 441.646 0.720 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502338520 1070427683 /nfs/dbraw/zinc/42/76/83/1070427683.db2.gz WZEFRLPRNCRYJR-QGZVFWFLSA-N 1 0 441.646 0.720 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338539 1070427646 /nfs/dbraw/zinc/42/76/46/1070427646.db2.gz XAJHDBBORWOHTG-HKUYNNGSSA-N 1 0 441.646 0.626 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338542 1070427799 /nfs/dbraw/zinc/42/77/99/1070427799.db2.gz XAJHDBBORWOHTG-IEBWSBKVSA-N 1 0 441.646 0.626 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338543 1070427560 /nfs/dbraw/zinc/42/75/60/1070427560.db2.gz XAJHDBBORWOHTG-MJGOQNOKSA-N 1 0 441.646 0.626 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338544 1070427612 /nfs/dbraw/zinc/42/76/12/1070427612.db2.gz XAJHDBBORWOHTG-PKOBYXMFSA-N 1 0 441.646 0.626 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502339594 1070427820 /nfs/dbraw/zinc/42/78/20/1070427820.db2.gz ALBFXUYVUREAIX-RLLQIKCJSA-N 1 0 446.600 0.802 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502339596 1070427701 /nfs/dbraw/zinc/42/77/01/1070427701.db2.gz ALBFXUYVUREAIX-YSIASYRMSA-N 1 0 446.600 0.802 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339780 1070427855 /nfs/dbraw/zinc/42/78/55/1070427855.db2.gz BZAKLGAZJFBEHH-HKUYNNGSSA-N 1 0 444.584 0.498 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339782 1070427593 /nfs/dbraw/zinc/42/75/93/1070427593.db2.gz BZAKLGAZJFBEHH-IEBWSBKVSA-N 1 0 444.584 0.498 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339784 1070427770 /nfs/dbraw/zinc/42/77/70/1070427770.db2.gz BZAKLGAZJFBEHH-MJGOQNOKSA-N 1 0 444.584 0.498 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339785 1070427637 /nfs/dbraw/zinc/42/76/37/1070427637.db2.gz BZAKLGAZJFBEHH-PKOBYXMFSA-N 1 0 444.584 0.498 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502340903 1070427791 /nfs/dbraw/zinc/42/77/91/1070427791.db2.gz KQLMTPCTTSPMQO-MSOLQXFVSA-N 1 0 443.600 0.619 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502340904 1070427782 /nfs/dbraw/zinc/42/77/82/1070427782.db2.gz KQLMTPCTTSPMQO-QZTJIDSGSA-N 1 0 443.600 0.619 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502340905 1070427667 /nfs/dbraw/zinc/42/76/67/1070427667.db2.gz KQLMTPCTTSPMQO-ROUUACIJSA-N 1 0 443.600 0.619 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502340906 1070428754 /nfs/dbraw/zinc/42/87/54/1070428754.db2.gz KQLMTPCTTSPMQO-ZWKOTPCHSA-N 1 0 443.600 0.619 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502341251 1070428601 /nfs/dbraw/zinc/42/86/01/1070428601.db2.gz RLZUFHPEFDSQRB-DLBZAZTESA-N 1 0 429.573 0.264 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502341252 1070428660 /nfs/dbraw/zinc/42/86/60/1070428660.db2.gz RLZUFHPEFDSQRB-IAGOWNOFSA-N 1 0 429.573 0.264 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502341253 1070428878 /nfs/dbraw/zinc/42/88/78/1070428878.db2.gz RLZUFHPEFDSQRB-IRXDYDNUSA-N 1 0 429.573 0.264 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502341254 1070428888 /nfs/dbraw/zinc/42/88/88/1070428888.db2.gz RLZUFHPEFDSQRB-SJORKVTESA-N 1 0 429.573 0.264 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502341389 1070428652 /nfs/dbraw/zinc/42/86/52/1070428652.db2.gz VHKQTRXBXVUUGY-GOSISDBHSA-N 1 0 447.609 0.849 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502341390 1070428700 /nfs/dbraw/zinc/42/87/00/1070428700.db2.gz VHKQTRXBXVUUGY-SFHVURJKSA-N 1 0 447.609 0.849 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342709 1070428736 /nfs/dbraw/zinc/42/87/36/1070428736.db2.gz CMAJCFWADHTZJB-MANSERQUSA-N 1 0 433.601 0.710 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342710 1070428810 /nfs/dbraw/zinc/42/88/10/1070428810.db2.gz CMAJCFWADHTZJB-MKXGPGLRSA-N 1 0 433.601 0.710 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342711 1070428565 /nfs/dbraw/zinc/42/85/65/1070428565.db2.gz CMAJCFWADHTZJB-RDGPPVDQSA-N 1 0 433.601 0.710 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342712 1070428637 /nfs/dbraw/zinc/42/86/37/1070428637.db2.gz CMAJCFWADHTZJB-YRXWBPOGSA-N 1 0 433.601 0.710 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001502343395 1070428714 /nfs/dbraw/zinc/42/87/14/1070428714.db2.gz OIROTCZSSIBTPZ-FHWLQOOXSA-N 1 0 449.600 0.354 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001502343396 1070428835 /nfs/dbraw/zinc/42/88/35/1070428835.db2.gz OIROTCZSSIBTPZ-GBESFXJTSA-N 1 0 449.600 0.354 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001502343397 1070428676 /nfs/dbraw/zinc/42/86/76/1070428676.db2.gz OIROTCZSSIBTPZ-IPMKNSEASA-N 1 0 449.600 0.354 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001502343398 1070428768 /nfs/dbraw/zinc/42/87/68/1070428768.db2.gz OIROTCZSSIBTPZ-OTWHNJEPSA-N 1 0 449.600 0.354 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343541 1070428901 /nfs/dbraw/zinc/42/89/01/1070428901.db2.gz PXWYETUYFUUJBE-FHWLQOOXSA-N 1 0 435.617 0.874 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343542 1070428792 /nfs/dbraw/zinc/42/87/92/1070428792.db2.gz PXWYETUYFUUJBE-GBESFXJTSA-N 1 0 435.617 0.874 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343543 1070428582 /nfs/dbraw/zinc/42/85/82/1070428582.db2.gz PXWYETUYFUUJBE-IPMKNSEASA-N 1 0 435.617 0.874 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343544 1070428615 /nfs/dbraw/zinc/42/86/15/1070428615.db2.gz PXWYETUYFUUJBE-OTWHNJEPSA-N 1 0 435.617 0.874 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502343645 1070428852 /nfs/dbraw/zinc/42/88/52/1070428852.db2.gz RUFNWVOOBQTKIM-FHWLQOOXSA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502343646 1070429649 /nfs/dbraw/zinc/42/96/49/1070429649.db2.gz RUFNWVOOBQTKIM-GBESFXJTSA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502343647 1070429860 /nfs/dbraw/zinc/42/98/60/1070429860.db2.gz RUFNWVOOBQTKIM-IPMKNSEASA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502343648 1070429624 /nfs/dbraw/zinc/42/96/24/1070429624.db2.gz RUFNWVOOBQTKIM-OTWHNJEPSA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)CC1 ZINC001502346166 1070429570 /nfs/dbraw/zinc/42/95/70/1070429570.db2.gz JIRSSDRYIOESSW-IBGZPJMESA-N 1 0 447.628 0.883 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)CC1 ZINC001502346167 1070429711 /nfs/dbraw/zinc/42/97/11/1070429711.db2.gz JIRSSDRYIOESSW-LJQANCHMSA-N 1 0 447.628 0.883 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502346280 1070429734 /nfs/dbraw/zinc/42/97/34/1070429734.db2.gz KMHRSRWIHUVSJE-GOSISDBHSA-N 1 0 432.617 0.966 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502346281 1070429608 /nfs/dbraw/zinc/42/96/08/1070429608.db2.gz KMHRSRWIHUVSJE-SFHVURJKSA-N 1 0 432.617 0.966 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(N(C)CCNS(C)(=O)=O)nnc2C(C)(C)C)CC1 ZINC001502347080 1070429845 /nfs/dbraw/zinc/42/98/45/1070429845.db2.gz UCOMVVGDJDGIPN-KRWDZBQOSA-N 1 0 443.662 0.835 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)CCNS(C)(=O)=O)nnc2C(C)(C)C)CC1 ZINC001502347081 1070429667 /nfs/dbraw/zinc/42/96/67/1070429667.db2.gz UCOMVVGDJDGIPN-QGZVFWFLSA-N 1 0 443.662 0.835 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502347420 1070429769 /nfs/dbraw/zinc/42/97/69/1070429769.db2.gz ZRYLERFWGXFEEC-GOSISDBHSA-N 1 0 426.569 0.474 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502347421 1070429528 /nfs/dbraw/zinc/42/95/28/1070429528.db2.gz ZRYLERFWGXFEEC-SFHVURJKSA-N 1 0 426.569 0.474 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502348713 1070429832 /nfs/dbraw/zinc/42/98/32/1070429832.db2.gz ADCDYCIYZLMYJA-SFHVURJKSA-N 1 0 448.616 0.536 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001502348891 1070429820 /nfs/dbraw/zinc/42/98/20/1070429820.db2.gz GFOLFFDSEQNBOZ-UHFFFAOYSA-N 1 0 434.589 0.160 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001502349111 1070429751 /nfs/dbraw/zinc/42/97/51/1070429751.db2.gz NGQDWXYVVYHWTK-KRWDZBQOSA-N 1 0 443.618 0.143 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001502349112 1070429807 /nfs/dbraw/zinc/42/98/07/1070429807.db2.gz NGQDWXYVVYHWTK-QGZVFWFLSA-N 1 0 443.618 0.143 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502349221 1070429596 /nfs/dbraw/zinc/42/95/96/1070429596.db2.gz QFVYIGPJRAVMDA-UHFFFAOYSA-N 1 0 434.633 0.651 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502349345 1070430678 /nfs/dbraw/zinc/43/06/78/1070430678.db2.gz UQSOYSQWVVYJJU-UHFFFAOYSA-N 1 0 441.646 0.901 20 0 ICADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502350716 1070430821 /nfs/dbraw/zinc/43/08/21/1070430821.db2.gz AKPQACODVNLKAD-UHFFFAOYSA-N 1 0 441.584 0.855 20 0 ICADRO CCN1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502350730 1070430793 /nfs/dbraw/zinc/43/07/93/1070430793.db2.gz AUNHJEIILMMTTO-UHFFFAOYSA-N 1 0 443.600 0.765 20 0 ICADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CCS(=O)CC2)CC1 ZINC001502350992 1070430666 /nfs/dbraw/zinc/43/06/66/1070430666.db2.gz IOKBCEWOWYEOKR-UHFFFAOYSA-N 1 0 432.598 0.722 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502352610 1070430646 /nfs/dbraw/zinc/43/06/46/1070430646.db2.gz ISDKVASLUHWBPT-GOSISDBHSA-N 1 0 446.600 0.243 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502352611 1070430812 /nfs/dbraw/zinc/43/08/12/1070430812.db2.gz ISDKVASLUHWBPT-SFHVURJKSA-N 1 0 446.600 0.243 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502352644 1070430835 /nfs/dbraw/zinc/43/08/35/1070430835.db2.gz JUSBUFCJURZILX-UHFFFAOYSA-N 1 0 441.646 0.947 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502352670 1070430720 /nfs/dbraw/zinc/43/07/20/1070430720.db2.gz KVPQPHZPJMBBNO-NRFANRHFSA-N 1 0 434.589 0.146 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502352671 1070430843 /nfs/dbraw/zinc/43/08/43/1070430843.db2.gz KVPQPHZPJMBBNO-OAQYLSRUSA-N 1 0 434.589 0.146 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502352806 1070430624 /nfs/dbraw/zinc/43/06/24/1070430624.db2.gz OYQNUXPQQGANPI-UHFFFAOYSA-N 1 0 427.619 0.511 20 0 ICADRO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2CCCN2CC[NH+](CC)CC2)CC1=O ZINC001502352959 1070430782 /nfs/dbraw/zinc/43/07/82/1070430782.db2.gz TWJWNZJKLITAGA-UHFFFAOYSA-N 1 0 448.616 0.503 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502354171 1070430609 /nfs/dbraw/zinc/43/06/09/1070430609.db2.gz BMKOIFUKXRMTRS-UHFFFAOYSA-N 1 0 427.553 0.918 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502354445 1070430736 /nfs/dbraw/zinc/43/07/36/1070430736.db2.gz JBYAPOGTTXHZCH-GOSISDBHSA-N 1 0 432.617 0.403 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502354449 1070430830 /nfs/dbraw/zinc/43/08/30/1070430830.db2.gz JBYAPOGTTXHZCH-SFHVURJKSA-N 1 0 432.617 0.403 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC001502355312 1070430702 /nfs/dbraw/zinc/43/07/02/1070430702.db2.gz VWNVGAAPNIUELQ-NRFANRHFSA-N 1 0 432.573 0.429 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC001502355317 1070430801 /nfs/dbraw/zinc/43/08/01/1070430801.db2.gz VWNVGAAPNIUELQ-OAQYLSRUSA-N 1 0 432.573 0.429 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502356184 1070430839 /nfs/dbraw/zinc/43/08/39/1070430839.db2.gz LDKBHIMCGKQYHD-UHFFFAOYSA-N 1 0 442.572 0.224 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001502356574 1070430594 /nfs/dbraw/zinc/43/05/94/1070430594.db2.gz PQOVZLGFCKHKHZ-UHFFFAOYSA-N 1 0 441.584 0.821 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C3CCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502357172 1070430760 /nfs/dbraw/zinc/43/07/60/1070430760.db2.gz YCXSCMVCCRAIFR-UHFFFAOYSA-N 1 0 446.644 0.783 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502357173 1070431747 /nfs/dbraw/zinc/43/17/47/1070431747.db2.gz YDAQZFNPDMIQAU-UHFFFAOYSA-N 1 0 443.600 0.798 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502357589 1070431610 /nfs/dbraw/zinc/43/16/10/1070431610.db2.gz BMZZWGTVQDFKFS-FQEVSTJZSA-N 1 0 440.596 0.993 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502357598 1070431787 /nfs/dbraw/zinc/43/17/87/1070431787.db2.gz BUNMECTUCJAFEI-UHFFFAOYSA-N 1 0 440.596 0.960 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502358178 1070431728 /nfs/dbraw/zinc/43/17/28/1070431728.db2.gz IQICXQUDEUENKL-UHFFFAOYSA-N 1 0 446.625 0.940 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502358345 1070431519 /nfs/dbraw/zinc/43/15/19/1070431519.db2.gz KENUNUUQMRYTGH-PMACEKPBSA-N 1 0 449.600 0.151 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502358346 1070431691 /nfs/dbraw/zinc/43/16/91/1070431691.db2.gz KENUNUUQMRYTGH-UXHICEINSA-N 1 0 449.600 0.151 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502358348 1070431441 /nfs/dbraw/zinc/43/14/41/1070431441.db2.gz KENUNUUQMRYTGH-VQTJNVASSA-N 1 0 449.600 0.151 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502358349 1070431773 /nfs/dbraw/zinc/43/17/73/1070431773.db2.gz KENUNUUQMRYTGH-WOJBJXKFSA-N 1 0 449.600 0.151 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502358668 1070431666 /nfs/dbraw/zinc/43/16/66/1070431666.db2.gz PBFQVOJADFAHLF-IBGZPJMESA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502358711 1070431476 /nfs/dbraw/zinc/43/14/76/1070431476.db2.gz PBFQVOJADFAHLF-LJQANCHMSA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502359186 1070431799 /nfs/dbraw/zinc/43/17/99/1070431799.db2.gz XWYXDCPJMQKTQX-IBGZPJMESA-N 1 0 433.601 0.915 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502359187 1070431710 /nfs/dbraw/zinc/43/17/10/1070431710.db2.gz XWYXDCPJMQKTQX-LJQANCHMSA-N 1 0 433.601 0.915 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccccn3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502359273 1070431635 /nfs/dbraw/zinc/43/16/35/1070431635.db2.gz ZVSYCJMQVBGFTQ-UHFFFAOYSA-N 1 0 426.569 0.618 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502359532 1070431758 /nfs/dbraw/zinc/43/17/58/1070431758.db2.gz BLIUIFYGPZXZMF-UHFFFAOYSA-N 1 0 439.630 0.340 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)C2)CC1 ZINC001502360231 1070431549 /nfs/dbraw/zinc/43/15/49/1070431549.db2.gz KDMLCMSRGCZTDV-UHFFFAOYSA-N 1 0 429.573 0.104 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cnccn2)CC1 ZINC001502360638 1070431811 /nfs/dbraw/zinc/43/18/11/1070431811.db2.gz PCOPXXLOSZLNST-UHFFFAOYSA-N 1 0 441.584 0.855 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502360811 1070431822 /nfs/dbraw/zinc/43/18/22/1070431822.db2.gz RLRBDIYNXBMPPU-LJQANCHMSA-N 1 0 449.600 0.452 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CCOc3ccccc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502360822 1070431575 /nfs/dbraw/zinc/43/15/75/1070431575.db2.gz ROTCGPQNIFYRII-UHFFFAOYSA-N 1 0 441.580 0.863 20 0 ICADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001502381871 1070435355 /nfs/dbraw/zinc/43/53/55/1070435355.db2.gz 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0.898 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001503060008 1070526135 /nfs/dbraw/zinc/52/61/35/1070526135.db2.gz GHBNCHSTTPUEAQ-XMSQKQJNSA-N 1 0 433.601 0.898 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCCc1cnn(C)n1 ZINC001503060088 1070526098 /nfs/dbraw/zinc/52/60/98/1070526098.db2.gz DASMYWRYHLKXOK-IBGZPJMESA-N 1 0 431.589 0.792 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCCc1cnn(C)n1 ZINC001503060089 1070525984 /nfs/dbraw/zinc/52/59/84/1070525984.db2.gz DASMYWRYHLKXOK-LJQANCHMSA-N 1 0 431.589 0.792 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCS(=O)(=O)CC ZINC001503062737 1070526687 /nfs/dbraw/zinc/52/66/87/1070526687.db2.gz ZKULWTYLNBHMIH-KRWDZBQOSA-N 1 0 428.603 0.466 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCS(=O)(=O)CC ZINC001503062738 1070526589 /nfs/dbraw/zinc/52/65/89/1070526589.db2.gz ZKULWTYLNBHMIH-QGZVFWFLSA-N 1 0 428.603 0.466 20 0 ICADRO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503065167 1070527057 /nfs/dbraw/zinc/52/70/57/1070527057.db2.gz GUCFVNVHZKEOOG-UHFFFAOYSA-N 1 0 435.573 0.919 20 0 ICADRO CCOCc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503071177 1070528571 /nfs/dbraw/zinc/52/85/71/1070528571.db2.gz NGDIJZOWEYETGP-HTAPYJJXSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503071178 1070528684 /nfs/dbraw/zinc/52/86/84/1070528684.db2.gz NGDIJZOWEYETGP-JTSKRJEESA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503071179 1070528437 /nfs/dbraw/zinc/52/84/37/1070528437.db2.gz NGDIJZOWEYETGP-VGOFRKELSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503071180 1070528503 /nfs/dbraw/zinc/52/85/03/1070528503.db2.gz NGDIJZOWEYETGP-VGSWGCGISA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001503072552 1070529341 /nfs/dbraw/zinc/52/93/41/1070529341.db2.gz DLGIBNLMIHNQCF-KRWDZBQOSA-N 1 0 445.568 0.972 20 0 ICADRO CCOCc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001503072553 1070529044 /nfs/dbraw/zinc/52/90/44/1070529044.db2.gz DLGIBNLMIHNQCF-QGZVFWFLSA-N 1 0 445.568 0.972 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503076515 1070529990 /nfs/dbraw/zinc/52/99/90/1070529990.db2.gz PRNWATWXXOUEJQ-DLBZAZTESA-N 1 0 435.573 0.459 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503076518 1070529888 /nfs/dbraw/zinc/52/98/88/1070529888.db2.gz PRNWATWXXOUEJQ-IAGOWNOFSA-N 1 0 435.573 0.459 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503076520 1070529838 /nfs/dbraw/zinc/52/98/38/1070529838.db2.gz PRNWATWXXOUEJQ-IRXDYDNUSA-N 1 0 435.573 0.459 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503076523 1070530036 /nfs/dbraw/zinc/53/00/36/1070530036.db2.gz PRNWATWXXOUEJQ-SJORKVTESA-N 1 0 435.573 0.459 20 0 ICADRO CCOCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCN1CCCS1(=O)=O ZINC001503079877 1070530589 /nfs/dbraw/zinc/53/05/89/1070530589.db2.gz HBKMJHKLBGPXKC-KRWDZBQOSA-N 1 0 426.587 0.915 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCN1CCCS1(=O)=O ZINC001503079878 1070530401 /nfs/dbraw/zinc/53/04/01/1070530401.db2.gz HBKMJHKLBGPXKC-QGZVFWFLSA-N 1 0 426.587 0.915 20 0 ICADRO CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001503095250 1070531599 /nfs/dbraw/zinc/53/15/99/1070531599.db2.gz AUBFZUVQWWGTKQ-RBUKOAKNSA-N 1 0 433.557 0.800 20 0 ICADRO CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCCN1CCOCC1 ZINC001503095271 1070531681 /nfs/dbraw/zinc/53/16/81/1070531681.db2.gz BNHYQYKZLNCZNG-UHFFFAOYSA-N 1 0 446.600 0.983 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCNC(=O)C(C)C ZINC001503097385 1070532184 /nfs/dbraw/zinc/53/21/84/1070532184.db2.gz BPVWBYZXVDSGEQ-KRWDZBQOSA-N 1 0 435.573 0.330 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCNC(=O)C(C)C ZINC001503097387 1070532369 /nfs/dbraw/zinc/53/23/69/1070532369.db2.gz BPVWBYZXVDSGEQ-QGZVFWFLSA-N 1 0 435.573 0.330 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+](CC)C1CC1 ZINC001503097659 1070532464 /nfs/dbraw/zinc/53/24/64/1070532464.db2.gz BTFZYAMZTFKZRQ-UHFFFAOYSA-N 1 0 435.573 0.472 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001503097686 1070532282 /nfs/dbraw/zinc/53/22/82/1070532282.db2.gz CDNBLJUGGTWKBN-INIZCTEOSA-N 1 0 435.573 0.472 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001503097741 1070533158 /nfs/dbraw/zinc/53/31/58/1070533158.db2.gz FHLVOYVVWPDTNP-GOSISDBHSA-N 1 0 447.584 0.570 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503097877 1070533046 /nfs/dbraw/zinc/53/30/46/1070533046.db2.gz HTYZAPADPUIWBY-NRFANRHFSA-N 1 0 429.525 0.239 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503097878 1070533108 /nfs/dbraw/zinc/53/31/08/1070533108.db2.gz HTYZAPADPUIWBY-OAQYLSRUSA-N 1 0 429.525 0.239 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001503097942 1070532984 /nfs/dbraw/zinc/53/29/84/1070532984.db2.gz FHLVOYVVWPDTNP-SFHVURJKSA-N 1 0 447.584 0.570 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001503097948 1070533014 /nfs/dbraw/zinc/53/30/14/1070533014.db2.gz FLHWDIZJOBMGDN-QGZVFWFLSA-N 1 0 429.587 0.798 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503098527 1070533555 /nfs/dbraw/zinc/53/35/55/1070533555.db2.gz JSAUZRTVSOXNJW-GOSISDBHSA-N 1 0 447.584 0.426 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503098530 1070534050 /nfs/dbraw/zinc/53/40/50/1070534050.db2.gz JSAUZRTVSOXNJW-SFHVURJKSA-N 1 0 447.584 0.426 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC1CC1 ZINC001503098599 1070534200 /nfs/dbraw/zinc/53/42/00/1070534200.db2.gz NFDPMSIHWSBFGG-KRWDZBQOSA-N 1 0 433.557 0.084 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC1CC1 ZINC001503098600 1070534335 /nfs/dbraw/zinc/53/43/35/1070534335.db2.gz NFDPMSIHWSBFGG-QGZVFWFLSA-N 1 0 433.557 0.084 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001503099090 1070533947 /nfs/dbraw/zinc/53/39/47/1070533947.db2.gz IKUJZKMDUQZINP-UHFFFAOYSA-N 1 0 449.600 0.280 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(C)COCCO1 ZINC001503099187 1070534001 /nfs/dbraw/zinc/53/40/01/1070534001.db2.gz IYUHOWMMTBFESI-NRFANRHFSA-N 1 0 436.557 0.365 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(C)COCCO1 ZINC001503099189 1070534834 /nfs/dbraw/zinc/53/48/34/1070534834.db2.gz IYUHOWMMTBFESI-OAQYLSRUSA-N 1 0 436.557 0.365 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCC(=O)N(C)C ZINC001503099232 1070534710 /nfs/dbraw/zinc/53/47/10/1070534710.db2.gz JFKXDSOIGIBTLO-UHFFFAOYSA-N 1 0 435.573 0.427 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1nnc2n1CCC2 ZINC001503099478 1070534949 /nfs/dbraw/zinc/53/49/49/1070534949.db2.gz MQZICQUKSCGDBD-UHFFFAOYSA-N 1 0 445.572 0.391 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001503099622 1070535038 /nfs/dbraw/zinc/53/50/38/1070535038.db2.gz QZWTWSRUFLAQDM-UHFFFAOYSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1noc(CC)n1 ZINC001503099753 1070535385 /nfs/dbraw/zinc/53/53/85/1070535385.db2.gz PFDHQZKJAFCIOV-UHFFFAOYSA-N 1 0 446.556 0.747 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)NC(C)C ZINC001503099856 1070535489 /nfs/dbraw/zinc/53/54/89/1070535489.db2.gz XKSBTLYSEASKHG-KRWDZBQOSA-N 1 0 435.573 0.472 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)NC(C)C ZINC001503099858 1070535539 /nfs/dbraw/zinc/53/55/39/1070535539.db2.gz XKSBTLYSEASKHG-QGZVFWFLSA-N 1 0 435.573 0.472 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001503099970 1070535361 /nfs/dbraw/zinc/53/53/61/1070535361.db2.gz WHSCNHNRUKVQSB-GOSISDBHSA-N 1 0 436.557 0.222 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001503100082 1070535437 /nfs/dbraw/zinc/53/54/37/1070535437.db2.gz YDAHHCGRSPPFFH-UHFFFAOYSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001503100086 1070535599 /nfs/dbraw/zinc/53/55/99/1070535599.db2.gz YDGIBPKUVGBMAJ-UHFFFAOYSA-N 1 0 435.573 0.426 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503100276 1070536050 /nfs/dbraw/zinc/53/60/50/1070536050.db2.gz ZZVULZVOOAWMFV-HSZRJFAPSA-N 1 0 442.564 0.773 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503100277 1070536172 /nfs/dbraw/zinc/53/61/72/1070536172.db2.gz ZZVULZVOOAWMFV-QHCPKHFHSA-N 1 0 442.564 0.773 20 0 ICADRO CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503101560 1070536892 /nfs/dbraw/zinc/53/68/92/1070536892.db2.gz WXOJQUUHHPMNJA-UHFFFAOYSA-N 1 0 429.587 0.675 20 0 ICADRO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001503103713 1070537481 /nfs/dbraw/zinc/53/74/81/1070537481.db2.gz IKRSSQJKMUBDQV-UHFFFAOYSA-N 1 0 440.552 0.897 20 0 ICADRO CCOCc1nnc(N2CCN(c3cccnn3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503106366 1070538435 /nfs/dbraw/zinc/53/84/35/1070538435.db2.gz VJNHZRPOYNKPLT-UHFFFAOYSA-N 1 0 430.557 0.778 20 0 ICADRO CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503107044 1070538404 /nfs/dbraw/zinc/53/84/04/1070538404.db2.gz GSLKOQLRWGMKKW-IBGZPJMESA-N 1 0 443.600 0.957 20 0 ICADRO CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503107045 1070538175 /nfs/dbraw/zinc/53/81/75/1070538175.db2.gz GSLKOQLRWGMKKW-LJQANCHMSA-N 1 0 443.600 0.957 20 0 ICADRO CCOCc1nnc(N2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503108381 1070539082 /nfs/dbraw/zinc/53/90/82/1070539082.db2.gz FXJCRLOKPKOZLW-IBGZPJMESA-N 1 0 443.600 0.957 20 0 ICADRO CCOCc1nnc(N2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503108383 1070538690 /nfs/dbraw/zinc/53/86/90/1070538690.db2.gz FXJCRLOKPKOZLW-LJQANCHMSA-N 1 0 443.600 0.957 20 0 ICADRO CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1cnnn1C ZINC001503109006 1070539432 /nfs/dbraw/zinc/53/94/32/1070539432.db2.gz GIOPNKQIHDXFRW-UHFFFAOYSA-N 1 0 431.589 0.986 20 0 ICADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001503109420 1070539572 /nfs/dbraw/zinc/53/95/72/1070539572.db2.gz MCJMHICXPUEPMZ-RDJZCZTQSA-N 1 0 449.556 0.492 20 0 ICADRO CCOCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001503109601 1070539640 /nfs/dbraw/zinc/53/96/40/1070539640.db2.gz SQSAWEDWDVQBIK-GOSISDBHSA-N 1 0 448.547 0.917 20 0 ICADRO 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CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001503118725 1070545106 /nfs/dbraw/zinc/54/51/06/1070545106.db2.gz OWHYNRVVVNZAHD-QGZVFWFLSA-N 1 0 436.557 0.411 20 0 ICADRO CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503118821 1070545894 /nfs/dbraw/zinc/54/58/94/1070545894.db2.gz PSBAYYNZTHFINM-KRWDZBQOSA-N 1 0 438.573 0.655 20 0 ICADRO CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503118832 1070545880 /nfs/dbraw/zinc/54/58/80/1070545880.db2.gz PSBAYYNZTHFINM-QGZVFWFLSA-N 1 0 438.573 0.655 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503119325 1070545991 /nfs/dbraw/zinc/54/59/91/1070545991.db2.gz VUCWYADKIIJRNL-KRWDZBQOSA-N 1 0 435.573 0.606 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503119327 1070545754 /nfs/dbraw/zinc/54/57/54/1070545754.db2.gz VUCWYADKIIJRNL-QGZVFWFLSA-N 1 0 435.573 0.606 20 0 ICADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503119903 1070546417 /nfs/dbraw/zinc/54/64/17/1070546417.db2.gz ZPEJPDSVCPBFPF-DLBZAZTESA-N 1 0 426.587 0.913 20 0 ICADRO CCOCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503119905 1070546630 /nfs/dbraw/zinc/54/66/30/1070546630.db2.gz ZPEJPDSVCPBFPF-IAGOWNOFSA-N 1 0 426.587 0.913 20 0 ICADRO CCOCc1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001503119938 1070546315 /nfs/dbraw/zinc/54/63/15/1070546315.db2.gz ZVEHONOSTGUHEQ-UHFFFAOYSA-N 1 0 428.541 0.336 20 0 ICADRO CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503131372 1070547786 /nfs/dbraw/zinc/54/77/86/1070547786.db2.gz UPXNJPIEHWKOTG-KSZLIROESA-N 1 0 435.573 0.775 20 0 ICADRO CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503131373 1070548198 /nfs/dbraw/zinc/54/81/98/1070548198.db2.gz UPXNJPIEHWKOTG-KURKYZTESA-N 1 0 435.573 0.775 20 0 ICADRO CCOCc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503132205 1070548475 /nfs/dbraw/zinc/54/84/75/1070548475.db2.gz LKMVJSJLPQOGQL-JHVJFLLYSA-N 1 0 436.557 0.985 20 0 ICADRO CCOCc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503132206 1070548391 /nfs/dbraw/zinc/54/83/91/1070548391.db2.gz LKMVJSJLPQOGQL-RVHYNSKXSA-N 1 0 436.557 0.985 20 0 ICADRO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503149167 1070549312 /nfs/dbraw/zinc/54/93/12/1070549312.db2.gz RZWRQYNPRGOPKY-HRAATJIYSA-N 1 0 429.525 0.855 20 0 ICADRO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503149169 1070549437 /nfs/dbraw/zinc/54/94/37/1070549437.db2.gz RZWRQYNPRGOPKY-IERDGZPVSA-N 1 0 429.525 0.855 20 0 ICADRO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503149170 1070549526 /nfs/dbraw/zinc/54/95/26/1070549526.db2.gz RZWRQYNPRGOPKY-IIBYNOLFSA-N 1 0 429.525 0.855 20 0 ICADRO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503149171 1070549646 /nfs/dbraw/zinc/54/96/46/1070549646.db2.gz RZWRQYNPRGOPKY-KKSFZXQISA-N 1 0 429.525 0.855 20 0 ICADRO CCOCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503186928 1070552764 /nfs/dbraw/zinc/55/27/64/1070552764.db2.gz IRLRITAGXUCUIV-FQEVSTJZSA-N 1 0 437.566 0.888 20 0 ICADRO CCOCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503186929 1070553002 /nfs/dbraw/zinc/55/30/02/1070553002.db2.gz IRLRITAGXUCUIV-HXUWFJFHSA-N 1 0 437.566 0.888 20 0 ICADRO CCOCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503193206 1070553543 /nfs/dbraw/zinc/55/35/43/1070553543.db2.gz WXTYJKVYPYHJLA-JOCHJYFZSA-N 1 0 444.584 0.991 20 0 ICADRO CCOCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503193208 1070553671 /nfs/dbraw/zinc/55/36/71/1070553671.db2.gz WXTYJKVYPYHJLA-QFIPXVFZSA-N 1 0 444.584 0.991 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1CC ZINC001503217387 1070557473 /nfs/dbraw/zinc/55/74/73/1070557473.db2.gz XZMDXKRYLSPBRI-HTAPYJJXSA-N 1 0 449.600 0.832 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1CC ZINC001503217388 1070557893 /nfs/dbraw/zinc/55/78/93/1070557893.db2.gz XZMDXKRYLSPBRI-JTSKRJEESA-N 1 0 449.600 0.832 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1CC ZINC001503217389 1070557676 /nfs/dbraw/zinc/55/76/76/1070557676.db2.gz XZMDXKRYLSPBRI-VGOFRKELSA-N 1 0 449.600 0.832 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)C[C@H]1CC ZINC001503217390 1070557713 /nfs/dbraw/zinc/55/77/13/1070557713.db2.gz XZMDXKRYLSPBRI-VGSWGCGISA-N 1 0 449.600 0.832 20 0 ICADRO CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001503222119 1070558658 /nfs/dbraw/zinc/55/86/58/1070558658.db2.gz FWTLOOZMTBMZPP-DLBZAZTESA-N 1 0 428.603 0.289 20 0 ICADRO CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001503222122 1070558536 /nfs/dbraw/zinc/55/85/36/1070558536.db2.gz FWTLOOZMTBMZPP-IAGOWNOFSA-N 1 0 428.603 0.289 20 0 ICADRO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001503222125 1070558635 /nfs/dbraw/zinc/55/86/35/1070558635.db2.gz FWTLOOZMTBMZPP-IRXDYDNUSA-N 1 0 428.603 0.289 20 0 ICADRO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001503222128 1070558510 /nfs/dbraw/zinc/55/85/10/1070558510.db2.gz FWTLOOZMTBMZPP-SJORKVTESA-N 1 0 428.603 0.289 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnnn2C)C[C@@H]1CC ZINC001503224328 1070559337 /nfs/dbraw/zinc/55/93/37/1070559337.db2.gz YSHRAUPUUIGLOI-KRWDZBQOSA-N 1 0 445.572 0.514 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnnn2C)C[C@H]1CC ZINC001503224330 1070559496 /nfs/dbraw/zinc/55/94/96/1070559496.db2.gz YSHRAUPUUIGLOI-QGZVFWFLSA-N 1 0 445.572 0.514 20 0 ICADRO CCOCCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503229214 1070560782 /nfs/dbraw/zinc/56/07/82/1070560782.db2.gz HWFYDLPSQPWTFF-SIKLNZKXSA-N 1 0 430.553 0.962 20 0 ICADRO CCOCCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503229217 1070560603 /nfs/dbraw/zinc/56/06/03/1070560603.db2.gz HWFYDLPSQPWTFF-UGKGYDQZSA-N 1 0 430.553 0.962 20 0 ICADRO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001503233969 1070561938 /nfs/dbraw/zinc/56/19/38/1070561938.db2.gz JYRUWFHSMCGFPW-BEFAXECRSA-N 1 0 427.571 0.252 20 0 ICADRO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001503233970 1070561999 /nfs/dbraw/zinc/56/19/99/1070561999.db2.gz JYRUWFHSMCGFPW-DNVCBOLYSA-N 1 0 427.571 0.252 20 0 ICADRO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001503233971 1070562127 /nfs/dbraw/zinc/56/21/27/1070562127.db2.gz JYRUWFHSMCGFPW-HNAYVOBHSA-N 1 0 427.571 0.252 20 0 ICADRO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001503233972 1070562217 /nfs/dbraw/zinc/56/22/17/1070562217.db2.gz JYRUWFHSMCGFPW-KXBFYZLASA-N 1 0 427.571 0.252 20 0 ICADRO CCS(=O)(=O)CCN(C)c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCOCC1 ZINC001503249291 1070568211 /nfs/dbraw/zinc/56/82/11/1070568211.db2.gz OHOHDDLWDGBFOL-UHFFFAOYSA-N 1 0 437.570 0.717 20 0 ICADRO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001503250311 1070568742 /nfs/dbraw/zinc/56/87/42/1070568742.db2.gz ABZMBZDIJBKMBO-INIZCTEOSA-N 1 0 438.598 0.756 20 0 ICADRO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001503250318 1070568594 /nfs/dbraw/zinc/56/85/94/1070568594.db2.gz ABZMBZDIJBKMBO-MRXNPFEDSA-N 1 0 438.598 0.756 20 0 ICADRO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001503250622 1070569235 /nfs/dbraw/zinc/56/92/35/1070569235.db2.gz CLDTZUJYVWIXJQ-INIZCTEOSA-N 1 0 429.587 0.764 20 0 ICADRO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001503250624 1070569532 /nfs/dbraw/zinc/56/95/32/1070569532.db2.gz CLDTZUJYVWIXJQ-MRXNPFEDSA-N 1 0 429.587 0.764 20 0 ICADRO CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503255811 1070573424 /nfs/dbraw/zinc/57/34/24/1070573424.db2.gz FEIIDRQVXGMGFB-KRWDZBQOSA-N 1 0 449.581 0.451 20 0 ICADRO CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503255812 1070573326 /nfs/dbraw/zinc/57/33/26/1070573326.db2.gz FEIIDRQVXGMGFB-QGZVFWFLSA-N 1 0 449.581 0.451 20 0 ICADRO CCS(=O)(=O)N(C)C1CCN(c2nnc(C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001503261636 1070577171 /nfs/dbraw/zinc/57/71/71/1070577171.db2.gz BOZRDYGGKKZYNK-UHFFFAOYSA-N 1 0 428.603 0.948 20 0 ICADRO CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001503262959 1070577326 /nfs/dbraw/zinc/57/73/26/1070577326.db2.gz UKLNFPWXFSEBSC-INIZCTEOSA-N 1 0 440.614 0.753 20 0 ICADRO CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001503262960 1070577538 /nfs/dbraw/zinc/57/75/38/1070577538.db2.gz UKLNFPWXFSEBSC-MRXNPFEDSA-N 1 0 440.614 0.753 20 0 ICADRO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001503263411 1070577503 /nfs/dbraw/zinc/57/75/03/1070577503.db2.gz DFQHSYLNDJWKFI-KRWDZBQOSA-N 1 0 438.598 0.900 20 0 ICADRO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001503263412 1070577396 /nfs/dbraw/zinc/57/73/96/1070577396.db2.gz DFQHSYLNDJWKFI-QGZVFWFLSA-N 1 0 438.598 0.900 20 0 ICADRO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001503263845 1070577912 /nfs/dbraw/zinc/57/79/12/1070577912.db2.gz POQIDFXNIXLVSJ-KRWDZBQOSA-N 1 0 438.598 0.900 20 0 ICADRO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001503263846 1070577846 /nfs/dbraw/zinc/57/78/46/1070577846.db2.gz POQIDFXNIXLVSJ-QGZVFWFLSA-N 1 0 438.598 0.900 20 0 ICADRO CCS(=O)(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001503269966 1070580821 /nfs/dbraw/zinc/58/08/21/1070580821.db2.gz IUZHKWOTMVZSNC-UHFFFAOYSA-N 1 0 443.618 0.665 20 0 ICADRO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001503270145 1070581590 /nfs/dbraw/zinc/58/15/90/1070581590.db2.gz AKVJDWIYADSGOW-GOSISDBHSA-N 1 0 440.614 0.910 20 0 ICADRO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001503270147 1070581250 /nfs/dbraw/zinc/58/12/50/1070581250.db2.gz AKVJDWIYADSGOW-SFHVURJKSA-N 1 0 440.614 0.910 20 0 ICADRO CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001503272054 1070582570 /nfs/dbraw/zinc/58/25/70/1070582570.db2.gz QSHFAOJLPOYNPI-APWZRJJASA-N 1 0 442.586 0.104 20 0 ICADRO CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001503272055 1070582778 /nfs/dbraw/zinc/58/27/78/1070582778.db2.gz QSHFAOJLPOYNPI-VQIMIIECSA-N 1 0 442.586 0.104 20 0 ICADRO 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/nfs/dbraw/zinc/62/11/81/1070621181.db2.gz NHPSACOJWAVIGY-QGZVFWFLSA-N 1 0 433.557 0.352 20 0 ICADRO CN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1 ZINC001503374958 1070621937 /nfs/dbraw/zinc/62/19/37/1070621937.db2.gz HIIWZXNJALZNSA-UHFFFAOYSA-N 1 0 441.580 0.958 20 0 ICADRO CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503375195 1070622680 /nfs/dbraw/zinc/62/26/80/1070622680.db2.gz LREXGWAWCBHJDE-GOSISDBHSA-N 1 0 431.585 0.842 20 0 ICADRO CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503375197 1070622535 /nfs/dbraw/zinc/62/25/35/1070622535.db2.gz LREXGWAWCBHJDE-SFHVURJKSA-N 1 0 431.585 0.842 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001503375440 1070622583 /nfs/dbraw/zinc/62/25/83/1070622583.db2.gz BVZKBRMFTRKSIR-UHFFFAOYSA-N 1 0 433.601 0.603 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)CC1 ZINC001503375477 1070623607 /nfs/dbraw/zinc/62/36/07/1070623607.db2.gz CSQPFTYVAAUIJY-GOSISDBHSA-N 1 0 446.600 0.315 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)CC1 ZINC001503375478 1070623498 /nfs/dbraw/zinc/62/34/98/1070623498.db2.gz CSQPFTYVAAUIJY-SFHVURJKSA-N 1 0 446.600 0.315 20 0 ICADRO CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001503375495 1070623535 /nfs/dbraw/zinc/62/35/35/1070623535.db2.gz RDYPHJARCZJNSU-UHFFFAOYSA-N 1 0 427.553 0.901 20 0 ICADRO CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001503375759 1070624325 /nfs/dbraw/zinc/62/43/25/1070624325.db2.gz XEPCLOLJFSDDFV-UHFFFAOYSA-N 1 0 439.564 0.853 20 0 ICADRO CN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 ZINC001503375866 1070624266 /nfs/dbraw/zinc/62/42/66/1070624266.db2.gz YQGHDNRNSVWHAW-UHFFFAOYSA-N 1 0 427.553 0.568 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001503375936 1070624396 /nfs/dbraw/zinc/62/43/96/1070624396.db2.gz KJIGVSAOKDQJNV-FQEVSTJZSA-N 1 0 440.596 0.814 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001503375937 1070624276 /nfs/dbraw/zinc/62/42/76/1070624276.db2.gz KJIGVSAOKDQJNV-HXUWFJFHSA-N 1 0 440.596 0.814 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001503376106 1070624892 /nfs/dbraw/zinc/62/48/92/1070624892.db2.gz MEGOXSQGBRTADG-UHFFFAOYSA-N 1 0 433.601 0.868 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001503376220 1070624856 /nfs/dbraw/zinc/62/48/56/1070624856.db2.gz IMECCLBVSBMENU-RBUKOAKNSA-N 1 0 449.600 0.187 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001503376221 1070624950 /nfs/dbraw/zinc/62/49/50/1070624950.db2.gz IMECCLBVSBMENU-RTBURBONSA-N 1 0 449.600 0.187 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001503376237 1070624911 /nfs/dbraw/zinc/62/49/11/1070624911.db2.gz JCSHQTMWVXTEBU-NRFANRHFSA-N 1 0 435.642 0.878 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001503376238 1070624999 /nfs/dbraw/zinc/62/49/99/1070624999.db2.gz JCSHQTMWVXTEBU-OAQYLSRUSA-N 1 0 435.642 0.878 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001503377098 1070627230 /nfs/dbraw/zinc/62/72/30/1070627230.db2.gz KWDIIXCAQZLXIT-UHFFFAOYSA-N 1 0 428.585 0.978 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 ZINC001503377835 1070628101 /nfs/dbraw/zinc/62/81/01/1070628101.db2.gz GJKIQONZDGRYEM-KRWDZBQOSA-N 1 0 438.598 0.868 20 0 ICADRO C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 ZINC001503377836 1070627948 /nfs/dbraw/zinc/62/79/48/1070627948.db2.gz GJKIQONZDGRYEM-QGZVFWFLSA-N 1 0 438.598 0.868 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CC1 ZINC001503377842 1070628084 /nfs/dbraw/zinc/62/80/84/1070628084.db2.gz GSMQMZGYVAQEEQ-KRWDZBQOSA-N 1 0 438.598 0.868 20 0 ICADRO C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CC1 ZINC001503377843 1070628254 /nfs/dbraw/zinc/62/82/54/1070628254.db2.gz GSMQMZGYVAQEEQ-QGZVFWFLSA-N 1 0 438.598 0.868 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001503378939 1070628071 /nfs/dbraw/zinc/62/80/71/1070628071.db2.gz HIBYSXQWZYXESX-INIZCTEOSA-N 1 0 426.525 0.967 20 0 ICADRO C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001503378940 1070628057 /nfs/dbraw/zinc/62/80/57/1070628057.db2.gz HIBYSXQWZYXESX-MRXNPFEDSA-N 1 0 426.525 0.967 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 ZINC001503380336 1070628024 /nfs/dbraw/zinc/62/80/24/1070628024.db2.gz GWBQNNORHUIJMB-KRWDZBQOSA-N 1 0 433.557 0.211 20 0 ICADRO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 ZINC001503380339 1070628233 /nfs/dbraw/zinc/62/82/33/1070628233.db2.gz GWBQNNORHUIJMB-QGZVFWFLSA-N 1 0 433.557 0.211 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC001503380825 1070627992 /nfs/dbraw/zinc/62/79/92/1070627992.db2.gz ADUPCKCWJDOXGI-MSOLQXFVSA-N 1 0 440.614 0.888 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC001503380826 1070628113 /nfs/dbraw/zinc/62/81/13/1070628113.db2.gz ADUPCKCWJDOXGI-QZTJIDSGSA-N 1 0 440.614 0.888 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC001503380827 1070629023 /nfs/dbraw/zinc/62/90/23/1070629023.db2.gz ADUPCKCWJDOXGI-ROUUACIJSA-N 1 0 440.614 0.888 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC001503380828 1070628984 /nfs/dbraw/zinc/62/89/84/1070628984.db2.gz ADUPCKCWJDOXGI-ZWKOTPCHSA-N 1 0 440.614 0.888 20 0 ICADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCC1 ZINC001503381653 1070628913 /nfs/dbraw/zinc/62/89/13/1070628913.db2.gz LVVKHNRPTMQPJL-DLBZAZTESA-N 1 0 426.587 0.940 20 0 ICADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C)C1CCC1 ZINC001503381655 1070629039 /nfs/dbraw/zinc/62/90/39/1070629039.db2.gz LVVKHNRPTMQPJL-IAGOWNOFSA-N 1 0 426.587 0.940 20 0 ICADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCC1 ZINC001503381656 1070629208 /nfs/dbraw/zinc/62/92/08/1070629208.db2.gz LVVKHNRPTMQPJL-IRXDYDNUSA-N 1 0 426.587 0.940 20 0 ICADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C)C1CCC1 ZINC001503381658 1070629033 /nfs/dbraw/zinc/62/90/33/1070629033.db2.gz LVVKHNRPTMQPJL-SJORKVTESA-N 1 0 426.587 0.940 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382278 1070629174 /nfs/dbraw/zinc/62/91/74/1070629174.db2.gz OGFKAZRDNSYRDA-KRWDZBQOSA-N 1 0 429.500 0.779 20 0 ICADRO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382281 1070628991 /nfs/dbraw/zinc/62/89/91/1070628991.db2.gz OGFKAZRDNSYRDA-QGZVFWFLSA-N 1 0 429.500 0.779 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC001503384336 1070628949 /nfs/dbraw/zinc/62/89/49/1070628949.db2.gz AYBQVLRXJYDOJZ-CVEARBPZSA-N 1 0 438.598 0.756 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC001503384341 1070628925 /nfs/dbraw/zinc/62/89/25/1070628925.db2.gz AYBQVLRXJYDOJZ-HZPDHXFCSA-N 1 0 438.598 0.756 20 0 ICADRO Cn1cc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cn1 ZINC001503384372 1070629015 /nfs/dbraw/zinc/62/90/15/1070629015.db2.gz YOSRDHCJKCRFDX-KRWDZBQOSA-N 1 0 436.586 0.491 20 0 ICADRO Cn1cc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H](C2CC2)[NH+](C)C)cn1 ZINC001503384381 1070629228 /nfs/dbraw/zinc/62/92/28/1070629228.db2.gz YOSRDHCJKCRFDX-QGZVFWFLSA-N 1 0 436.586 0.491 20 0 ICADRO CN(c1nnc(-c2cnccn2)n1C[C@H](C1CC1)[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC001503384484 1070629007 /nfs/dbraw/zinc/62/90/07/1070629007.db2.gz YZYCJRQUQUGTFI-GOSISDBHSA-N 1 0 448.597 0.936 20 0 ICADRO CN(c1nnc(-c2cnccn2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC001503384489 1070629049 /nfs/dbraw/zinc/62/90/49/1070629049.db2.gz YZYCJRQUQUGTFI-SFHVURJKSA-N 1 0 448.597 0.936 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCSC1 ZINC001503385001 1070629089 /nfs/dbraw/zinc/62/90/89/1070629089.db2.gz DFURWTDXJMPXMP-DAYGRLMNSA-N 1 0 429.612 0.843 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCSC1 ZINC001503385005 1070629116 /nfs/dbraw/zinc/62/91/16/1070629116.db2.gz DFURWTDXJMPXMP-MPGHIAIKSA-N 1 0 429.612 0.843 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCSC1 ZINC001503385009 1070628970 /nfs/dbraw/zinc/62/89/70/1070628970.db2.gz DFURWTDXJMPXMP-RKVPGOIHSA-N 1 0 429.612 0.843 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCSC1 ZINC001503385013 1070628878 /nfs/dbraw/zinc/62/88/78/1070628878.db2.gz DFURWTDXJMPXMP-VKJFTORMSA-N 1 0 429.612 0.843 20 0 ICADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC001503385627 1070628866 /nfs/dbraw/zinc/62/88/66/1070628866.db2.gz LNMJJSMQMKRRNN-UHFFFAOYSA-N 1 0 434.570 0.691 20 0 ICADRO Cn1ccc(Nc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001503386594 1070629142 /nfs/dbraw/zinc/62/91/42/1070629142.db2.gz VRNYZOPLYWVAET-CABCVRRESA-N 1 0 438.558 0.428 20 0 ICADRO Cn1ccc(Nc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001503386597 1070630029 /nfs/dbraw/zinc/63/00/29/1070630029.db2.gz VRNYZOPLYWVAET-GJZGRUSLSA-N 1 0 438.558 0.428 20 0 ICADRO Cn1ccc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001503386601 1070630162 /nfs/dbraw/zinc/63/01/62/1070630162.db2.gz VRNYZOPLYWVAET-HUUCEWRRSA-N 1 0 438.558 0.428 20 0 ICADRO Cn1ccc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001503386605 1070630038 /nfs/dbraw/zinc/63/00/38/1070630038.db2.gz VRNYZOPLYWVAET-LSDHHAIUSA-N 1 0 438.558 0.428 20 0 ICADRO C[NH+](C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCNC(=O)C2)CCC1 ZINC001503387129 1070629820 /nfs/dbraw/zinc/62/98/20/1070629820.db2.gz NNSXJLORIJNHOG-UHFFFAOYSA-N 1 0 432.550 0.769 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 ZINC001503387210 1070630149 /nfs/dbraw/zinc/63/01/49/1070630149.db2.gz OULPSMIEECDQTM-HNNXBMFYSA-N 1 0 426.587 0.784 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 ZINC001503387218 1070629868 /nfs/dbraw/zinc/62/98/68/1070629868.db2.gz OULPSMIEECDQTM-OAHLLOKOSA-N 1 0 426.587 0.784 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCC1 ZINC001503387228 1070630133 /nfs/dbraw/zinc/63/01/33/1070630133.db2.gz OXOHQUHYEUTOJX-BEFAXECRSA-N 1 0 438.598 0.756 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCC1 ZINC001503387233 1070629897 /nfs/dbraw/zinc/62/98/97/1070629897.db2.gz OXOHQUHYEUTOJX-DNVCBOLYSA-N 1 0 438.598 0.756 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCC1 ZINC001503387238 1070630054 /nfs/dbraw/zinc/63/00/54/1070630054.db2.gz OXOHQUHYEUTOJX-HNAYVOBHSA-N 1 0 438.598 0.756 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCC1 ZINC001503387243 1070629955 /nfs/dbraw/zinc/62/99/55/1070629955.db2.gz OXOHQUHYEUTOJX-KXBFYZLASA-N 1 0 438.598 0.756 20 0 ICADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CCC(CC(N)=O)CC2)CCOCC1 ZINC001503387417 1070629978 /nfs/dbraw/zinc/62/99/78/1070629978.db2.gz XISJDAPPHXMBEB-UHFFFAOYSA-N 1 0 428.541 0.938 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 ZINC001503387466 1070630115 /nfs/dbraw/zinc/63/01/15/1070630115.db2.gz QHMHEWMSJQEUIZ-DLBZAZTESA-N 1 0 426.587 0.988 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 ZINC001503387470 1070629882 /nfs/dbraw/zinc/62/98/82/1070629882.db2.gz QHMHEWMSJQEUIZ-IAGOWNOFSA-N 1 0 426.587 0.988 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CCCC1 ZINC001503387861 1070629999 /nfs/dbraw/zinc/62/99/99/1070629999.db2.gz SDTZNOUDOSUZJI-INIZCTEOSA-N 1 0 442.586 0.322 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CCCC1 ZINC001503387863 1070630047 /nfs/dbraw/zinc/63/00/47/1070630047.db2.gz SDTZNOUDOSUZJI-MRXNPFEDSA-N 1 0 442.586 0.322 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)CCOCC1 ZINC001503387929 1070630013 /nfs/dbraw/zinc/63/00/13/1070630013.db2.gz SRFXNVSWZFHLGQ-INIZCTEOSA-N 1 0 442.586 0.322 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)CCOCC1 ZINC001503387931 1070630124 /nfs/dbraw/zinc/63/01/24/1070630124.db2.gz SRFXNVSWZFHLGQ-MRXNPFEDSA-N 1 0 442.586 0.322 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001503387968 1070629934 /nfs/dbraw/zinc/62/99/34/1070629934.db2.gz SYFOJOSZZJWLCC-DLBZAZTESA-N 1 0 441.598 0.906 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001503387969 1070630086 /nfs/dbraw/zinc/63/00/86/1070630086.db2.gz SYFOJOSZZJWLCC-IAGOWNOFSA-N 1 0 441.598 0.906 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001503387971 1070629841 /nfs/dbraw/zinc/62/98/41/1070629841.db2.gz SYFOJOSZZJWLCC-IRXDYDNUSA-N 1 0 441.598 0.906 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001503387973 1070630757 /nfs/dbraw/zinc/63/07/57/1070630757.db2.gz SYFOJOSZZJWLCC-SJORKVTESA-N 1 0 441.598 0.906 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCCCC1 ZINC001503388329 1070630745 /nfs/dbraw/zinc/63/07/45/1070630745.db2.gz XSUFFYMPIALYME-INIZCTEOSA-N 1 0 438.598 0.771 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCCCC1 ZINC001503388330 1070630713 /nfs/dbraw/zinc/63/07/13/1070630713.db2.gz XSUFFYMPIALYME-MRXNPFEDSA-N 1 0 438.598 0.771 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001503388433 1070630929 /nfs/dbraw/zinc/63/09/29/1070630929.db2.gz YZGJSXCXMKPSBN-PMACEKPBSA-N 1 0 435.598 0.653 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001503388434 1070630892 /nfs/dbraw/zinc/63/08/92/1070630892.db2.gz YZGJSXCXMKPSBN-UXHICEINSA-N 1 0 435.598 0.653 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001503388435 1070630835 /nfs/dbraw/zinc/63/08/35/1070630835.db2.gz YZGJSXCXMKPSBN-VQTJNVASSA-N 1 0 435.598 0.653 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001503388436 1070630770 /nfs/dbraw/zinc/63/07/70/1070630770.db2.gz YZGJSXCXMKPSBN-WOJBJXKFSA-N 1 0 435.598 0.653 20 0 ICADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)CCCCC1 ZINC001503389710 1070630781 /nfs/dbraw/zinc/63/07/81/1070630781.db2.gz LLJHYMUBVXEBHU-UHFFFAOYSA-N 1 0 438.598 0.900 20 0 ICADRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)C2)CCOCC1 ZINC001503389806 1070630799 /nfs/dbraw/zinc/63/07/99/1070630799.db2.gz OGMKZTLCADNTNJ-UHFFFAOYSA-N 1 0 447.565 0.317 20 0 ICADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CCOCC1 ZINC001503389947 1070630699 /nfs/dbraw/zinc/63/06/99/1070630699.db2.gz UCCKIBYJSGLYNR-UHFFFAOYSA-N 1 0 433.557 0.213 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001503390990 1070630726 /nfs/dbraw/zinc/63/07/26/1070630726.db2.gz GVWPFKULECBKOD-HNNXBMFYSA-N 1 0 441.540 0.727 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001503390991 1070630861 /nfs/dbraw/zinc/63/08/61/1070630861.db2.gz GVWPFKULECBKOD-OAHLLOKOSA-N 1 0 441.540 0.727 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001503391077 1070630736 /nfs/dbraw/zinc/63/07/36/1070630736.db2.gz HYSFFTDPAYAOCM-UHFFFAOYSA-N 1 0 435.573 0.573 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C ZINC001503392955 1070631754 /nfs/dbraw/zinc/63/17/54/1070631754.db2.gz ZZNDPZAEHFGGGD-UHFFFAOYSA-N 1 0 429.591 0.087 20 0 ICADRO CN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001503395234 1070633049 /nfs/dbraw/zinc/63/30/49/1070633049.db2.gz KMBANVSWZSCOLR-UHFFFAOYSA-N 1 0 438.540 0.787 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001503396418 1070632734 /nfs/dbraw/zinc/63/27/34/1070632734.db2.gz FOBOLAJMZHJCSW-UHFFFAOYSA-N 1 0 441.584 0.724 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001503396597 1070632990 /nfs/dbraw/zinc/63/29/90/1070632990.db2.gz LHMDDQANHDYLKF-CVEARBPZSA-N 1 0 432.573 0.857 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001503396598 1070632862 /nfs/dbraw/zinc/63/28/62/1070632862.db2.gz LHMDDQANHDYLKF-HOTGVXAUSA-N 1 0 432.573 0.857 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001503396599 1070633024 /nfs/dbraw/zinc/63/30/24/1070633024.db2.gz LHMDDQANHDYLKF-HZPDHXFCSA-N 1 0 432.573 0.857 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001503396600 1070632937 /nfs/dbraw/zinc/63/29/37/1070632937.db2.gz LHMDDQANHDYLKF-JKSUJKDBSA-N 1 0 432.573 0.857 20 0 ICADRO Cn1cc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)(C)C[NH+](C)C)CC2=O)cn1 ZINC001503396603 1070633007 /nfs/dbraw/zinc/63/30/07/1070633007.db2.gz LIHGYQPDYTUJQV-INIZCTEOSA-N 1 0 443.556 0.404 20 0 ICADRO Cn1cc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)C[NH+](C)C)CC2=O)cn1 ZINC001503396604 1070633082 /nfs/dbraw/zinc/63/30/82/1070633082.db2.gz LIHGYQPDYTUJQV-MRXNPFEDSA-N 1 0 443.556 0.404 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 ZINC001503396656 1070632954 /nfs/dbraw/zinc/63/29/54/1070632954.db2.gz MOGMMVQCIONAAQ-UHFFFAOYSA-N 1 0 438.554 0.828 20 0 ICADRO Cn1cc(N2CCN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)CC2=O)cn1 ZINC001503396854 1070632906 /nfs/dbraw/zinc/63/29/06/1070632906.db2.gz PJXMVNXNVPRMPD-UHFFFAOYSA-N 1 0 438.540 0.910 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001503397073 1070632829 /nfs/dbraw/zinc/63/28/29/1070632829.db2.gz XUQPQMNNFXABPV-UHFFFAOYSA-N 1 0 433.601 0.724 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001503397359 1070632880 /nfs/dbraw/zinc/63/28/80/1070632880.db2.gz BHRNJJDERJCRNP-INIZCTEOSA-N 1 0 447.584 0.297 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001503397360 1070632606 /nfs/dbraw/zinc/63/26/06/1070632606.db2.gz BHRNJJDERJCRNP-MRXNPFEDSA-N 1 0 447.584 0.297 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001503397624 1070632622 /nfs/dbraw/zinc/63/26/22/1070632622.db2.gz AKPRGFOVOZQQIG-UHFFFAOYSA-N 1 0 428.585 0.836 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001503397870 1070632655 /nfs/dbraw/zinc/63/26/55/1070632655.db2.gz GVHOUGHWPNFPRA-INIZCTEOSA-N 1 0 440.614 0.860 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001503397873 1070633526 /nfs/dbraw/zinc/63/35/26/1070633526.db2.gz GVHOUGHWPNFPRA-MRXNPFEDSA-N 1 0 440.614 0.860 20 0 ICADRO CN1C(=O)NC2(CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001503397899 1070633843 /nfs/dbraw/zinc/63/38/43/1070633843.db2.gz HALFEXBIFUIYKX-HNNXBMFYSA-N 1 0 433.557 0.890 20 0 ICADRO CN1C(=O)NC2(CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001503397904 1070633757 /nfs/dbraw/zinc/63/37/57/1070633757.db2.gz HALFEXBIFUIYKX-OAHLLOKOSA-N 1 0 433.557 0.890 20 0 ICADRO CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C[NH+](C)C)c2)CC1=O ZINC001503398433 1070633921 /nfs/dbraw/zinc/63/39/21/1070633921.db2.gz IHWHVNRRMLMULL-UHFFFAOYSA-N 1 0 425.537 0.789 20 0 ICADRO CN1C[C@H]2CN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)CCN2C1=O ZINC001503398957 1070633817 /nfs/dbraw/zinc/63/38/17/1070633817.db2.gz PBZYWFNRBRMWMG-INIZCTEOSA-N 1 0 432.573 0.544 20 0 ICADRO CN1C[C@@H]2CN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)CCN2C1=O ZINC001503398959 1070633667 /nfs/dbraw/zinc/63/36/67/1070633667.db2.gz PBZYWFNRBRMWMG-MRXNPFEDSA-N 1 0 432.573 0.544 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503399261 1070633566 /nfs/dbraw/zinc/63/35/66/1070633566.db2.gz NVTKOVZGUFIMLY-HNNXBMFYSA-N 1 0 428.603 0.888 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503399262 1070633835 /nfs/dbraw/zinc/63/38/35/1070633835.db2.gz NVTKOVZGUFIMLY-OAHLLOKOSA-N 1 0 428.603 0.888 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001503399316 1070633683 /nfs/dbraw/zinc/63/36/83/1070633683.db2.gz KPYYHUGAXSWEBZ-QGZVFWFLSA-N 1 0 447.584 0.645 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001503399737 1070633862 /nfs/dbraw/zinc/63/38/62/1070633862.db2.gz PQCAXXFNFAJEEK-HNNXBMFYSA-N 1 0 438.598 0.579 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001503399742 1070633773 /nfs/dbraw/zinc/63/37/73/1070633773.db2.gz PQCAXXFNFAJEEK-OAHLLOKOSA-N 1 0 438.598 0.579 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001503399802 1070633656 /nfs/dbraw/zinc/63/36/56/1070633656.db2.gz OTFDFDMBGMPEQW-GOSISDBHSA-N 1 0 436.582 0.877 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCOC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001503399806 1070633801 /nfs/dbraw/zinc/63/38/01/1070633801.db2.gz OTFDFDMBGMPEQW-SFHVURJKSA-N 1 0 436.582 0.877 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001503399905 1070633631 /nfs/dbraw/zinc/63/36/31/1070633631.db2.gz VRJWSDSYNXBMJT-UHFFFAOYSA-N 1 0 429.573 0.231 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001503400085 1070633588 /nfs/dbraw/zinc/63/35/88/1070633588.db2.gz XVYNAFVRLJUFQF-IBGZPJMESA-N 1 0 441.584 0.929 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001503400102 1070633720 /nfs/dbraw/zinc/63/37/20/1070633720.db2.gz XVYNAFVRLJUFQF-LJQANCHMSA-N 1 0 441.584 0.929 20 0 ICADRO C[NH+](C)CCOc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)C2)c1 ZINC001503400175 1070633698 /nfs/dbraw/zinc/63/36/98/1070633698.db2.gz ODVIKBPLFGFPDN-UHFFFAOYSA-N 1 0 441.536 0.439 20 0 ICADRO C[NH+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)c1 ZINC001503400225 1070633913 /nfs/dbraw/zinc/63/39/13/1070633913.db2.gz YODCKSWLPXBFLL-GOSISDBHSA-N 1 0 425.537 0.822 20 0 ICADRO C[NH+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)c1 ZINC001503400226 1070633852 /nfs/dbraw/zinc/63/38/52/1070633852.db2.gz YODCKSWLPXBFLL-SFHVURJKSA-N 1 0 425.537 0.822 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001503400575 1070633872 /nfs/dbraw/zinc/63/38/72/1070633872.db2.gz AXKFTENHSVMCPL-NRFANRHFSA-N 1 0 449.644 0.824 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001503400576 1070634749 /nfs/dbraw/zinc/63/47/49/1070634749.db2.gz AXKFTENHSVMCPL-OAQYLSRUSA-N 1 0 449.644 0.824 20 0 ICADRO C[NH+](C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)CC1 ZINC001503401401 1070634777 /nfs/dbraw/zinc/63/47/77/1070634777.db2.gz KTASSKVNNKRUCY-GOSISDBHSA-N 1 0 440.614 0.290 20 0 ICADRO C[NH+](C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)CC1 ZINC001503401403 1070634808 /nfs/dbraw/zinc/63/48/08/1070634808.db2.gz KTASSKVNNKRUCY-SFHVURJKSA-N 1 0 440.614 0.290 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001503401483 1070634837 /nfs/dbraw/zinc/63/48/37/1070634837.db2.gz AKKXFXMMEJBVAT-UHFFFAOYSA-N 1 0 445.572 0.600 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001503401587 1070634917 /nfs/dbraw/zinc/63/49/17/1070634917.db2.gz OMKDXPNZRXYNHM-UHFFFAOYSA-N 1 0 446.600 0.000 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001503401599 1070634943 /nfs/dbraw/zinc/63/49/43/1070634943.db2.gz BYTHLIBTGAWCHM-KRWDZBQOSA-N 1 0 431.545 0.525 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001503401600 1070634872 /nfs/dbraw/zinc/63/48/72/1070634872.db2.gz BYTHLIBTGAWCHM-QGZVFWFLSA-N 1 0 431.545 0.525 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 ZINC001503401728 1070634899 /nfs/dbraw/zinc/63/48/99/1070634899.db2.gz CVPSXXNUTTXFES-UHFFFAOYSA-N 1 0 440.346 0.940 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001503401841 1070634717 /nfs/dbraw/zinc/63/47/17/1070634717.db2.gz GCLCDJQTIQOJAV-CVEARBPZSA-N 1 0 435.529 0.027 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 ZINC001503401966 1070634788 /nfs/dbraw/zinc/63/47/88/1070634788.db2.gz HIYNHQBGCPETKJ-UHFFFAOYSA-N 1 0 443.556 0.209 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001503402036 1070634767 /nfs/dbraw/zinc/63/47/67/1070634767.db2.gz ICQFJHTUJVBFKS-UHFFFAOYSA-N 1 0 448.490 0.986 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001503402251 1070634735 /nfs/dbraw/zinc/63/47/35/1070634735.db2.gz DYIPEDZNXMRICK-HNNXBMFYSA-N 1 0 433.561 0.686 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001503402265 1070634887 /nfs/dbraw/zinc/63/48/87/1070634887.db2.gz DYIPEDZNXMRICK-OAHLLOKOSA-N 1 0 433.561 0.686 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnccn2)CC1 ZINC001503402339 1070634933 /nfs/dbraw/zinc/63/49/33/1070634933.db2.gz FOKHSPUYMLYILT-UHFFFAOYSA-N 1 0 437.552 0.959 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001503402539 1070635764 /nfs/dbraw/zinc/63/57/64/1070635764.db2.gz HUIVFXYOGJGFQG-JOCHJYFZSA-N 1 0 440.552 0.797 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001503402540 1070635670 /nfs/dbraw/zinc/63/56/70/1070635670.db2.gz HUIVFXYOGJGFQG-QFIPXVFZSA-N 1 0 440.552 0.797 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001503402624 1070635823 /nfs/dbraw/zinc/63/58/23/1070635823.db2.gz FHTIHGIIYMSNPC-KRWDZBQOSA-N 1 0 428.541 0.959 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001503402626 1070635496 /nfs/dbraw/zinc/63/54/96/1070635496.db2.gz IXZWXVUQWDGEAZ-UHFFFAOYSA-N 1 0 429.525 0.921 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001503402627 1070635702 /nfs/dbraw/zinc/63/57/02/1070635702.db2.gz FHTIHGIIYMSNPC-QGZVFWFLSA-N 1 0 428.541 0.959 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001503402764 1070635508 /nfs/dbraw/zinc/63/55/08/1070635508.db2.gz QOCHFRNJPSQSRP-UHFFFAOYSA-N 1 0 447.506 0.777 20 0 ICADRO CN1C(=O)NC2(CCN(c3nnc(CC(C)(C)C)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001503402770 1070635573 /nfs/dbraw/zinc/63/55/73/1070635573.db2.gz JUMBWIGUDLBULG-UHFFFAOYSA-N 1 0 435.573 0.966 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 ZINC001503402779 1070635643 /nfs/dbraw/zinc/63/56/43/1070635643.db2.gz JZYYPYHWHHBYFU-UHFFFAOYSA-N 1 0 447.565 0.330 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001503403012 1070635543 /nfs/dbraw/zinc/63/55/43/1070635543.db2.gz KDXCBBCZASFEPP-UHFFFAOYSA-N 1 0 440.545 0.744 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001503403036 1070635730 /nfs/dbraw/zinc/63/57/30/1070635730.db2.gz TWHIREHYSJWXKC-UHFFFAOYSA-N 1 0 447.584 0.541 20 0 ICADRO CN1C[C@@H]2CN(c3nnc(Cc4ccncc4)n3CCOCC[NH+](C)C)CCN2C1=O ZINC001503403229 1070635599 /nfs/dbraw/zinc/63/55/99/1070635599.db2.gz RJHVHLMFRYPNRB-GOSISDBHSA-N 1 0 428.541 0.398 20 0 ICADRO CN1C[C@H]2CN(c3nnc(Cc4ccncc4)n3CCOCC[NH+](C)C)CCN2C1=O ZINC001503403230 1070635617 /nfs/dbraw/zinc/63/56/17/1070635617.db2.gz RJHVHLMFRYPNRB-SFHVURJKSA-N 1 0 428.541 0.398 20 0 ICADRO C[NH+](C)CCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001503403471 1070635748 /nfs/dbraw/zinc/63/57/48/1070635748.db2.gz TVVRMMGAZTWOBW-UHFFFAOYSA-N 1 0 447.584 0.080 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001503403553 1070635691 /nfs/dbraw/zinc/63/56/91/1070635691.db2.gz VGZZJIDUCGIGKZ-GOSISDBHSA-N 1 0 436.582 0.856 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001503403555 1070635586 /nfs/dbraw/zinc/63/55/86/1070635586.db2.gz VGZZJIDUCGIGKZ-SFHVURJKSA-N 1 0 436.582 0.856 20 0 ICADRO Cn1cc([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001503403560 1070635523 /nfs/dbraw/zinc/63/55/23/1070635523.db2.gz ZSUKVSLEQAXTAW-GOSISDBHSA-N 1 0 446.556 0.404 20 0 ICADRO Cn1cc([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001503403562 1070635809 /nfs/dbraw/zinc/63/58/09/1070635809.db2.gz ZSUKVSLEQAXTAW-SFHVURJKSA-N 1 0 446.556 0.404 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001503403617 1070635637 /nfs/dbraw/zinc/63/56/37/1070635637.db2.gz QBGAKLQJRBVREX-IBGZPJMESA-N 1 0 443.552 0.746 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001503403618 1070635659 /nfs/dbraw/zinc/63/56/59/1070635659.db2.gz QBGAKLQJRBVREX-LJQANCHMSA-N 1 0 443.552 0.746 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001503403676 1070636683 /nfs/dbraw/zinc/63/66/83/1070636683.db2.gz WUXVWGLKMGWNST-NRFANRHFSA-N 1 0 429.525 0.873 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001503403678 1070636652 /nfs/dbraw/zinc/63/66/52/1070636652.db2.gz WUXVWGLKMGWNST-OAQYLSRUSA-N 1 0 429.525 0.873 20 0 ICADRO CN(Cc1cscn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001503403995 1070636486 /nfs/dbraw/zinc/63/64/86/1070636486.db2.gz CEBIAUHOSDCTMT-AWEZNQCLSA-N 1 0 428.584 0.851 20 0 ICADRO CN(Cc1cscn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001503403996 1070636597 /nfs/dbraw/zinc/63/65/97/1070636597.db2.gz CEBIAUHOSDCTMT-CQSZACIVSA-N 1 0 428.584 0.851 20 0 ICADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2noc3c2COCC3)n1CCOCC[NH+](C)C ZINC001503404011 1070636542 /nfs/dbraw/zinc/63/65/42/1070636542.db2.gz CKODVYULOVCUMD-UHFFFAOYSA-N 1 0 449.556 0.935 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001503404117 1070636705 /nfs/dbraw/zinc/63/67/05/1070636705.db2.gz FKXZXMLHNJNDLO-IBGZPJMESA-N 1 0 443.552 0.840 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001503404118 1070636445 /nfs/dbraw/zinc/63/64/45/1070636445.db2.gz FKXZXMLHNJNDLO-LJQANCHMSA-N 1 0 443.552 0.840 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCOCC[NH+](C)C)cn1 ZINC001503404127 1070636417 /nfs/dbraw/zinc/63/64/17/1070636417.db2.gz FMINRKFCUFPSFA-INIZCTEOSA-N 1 0 425.559 0.270 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCOCC[NH+](C)C)cn1 ZINC001503404129 1070636581 /nfs/dbraw/zinc/63/65/81/1070636581.db2.gz FMINRKFCUFPSFA-MRXNPFEDSA-N 1 0 425.559 0.270 20 0 ICADRO Cn1cccc1-c1nnc(N2CCN(c3ncccn3)CC2)n1CCOCC[NH+](C)C ZINC001503404148 1070636666 /nfs/dbraw/zinc/63/66/66/1070636666.db2.gz ZAIDLBLITREATG-UHFFFAOYSA-N 1 0 425.541 0.978 20 0 ICADRO CN1C(=O)N[C@@H](C2CCN(c3nnc(C4CCC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001503404477 1070636504 /nfs/dbraw/zinc/63/65/04/1070636504.db2.gz LXWDVEDWIMTONF-KRWDZBQOSA-N 1 0 433.557 0.890 20 0 ICADRO CN1C(=O)N[C@H](C2CCN(c3nnc(C4CCC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001503404480 1070636558 /nfs/dbraw/zinc/63/65/58/1070636558.db2.gz LXWDVEDWIMTONF-QGZVFWFLSA-N 1 0 433.557 0.890 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 ZINC001503404666 1070636676 /nfs/dbraw/zinc/63/66/76/1070636676.db2.gz NVRWNDXGTXRFBL-UHFFFAOYSA-N 1 0 447.540 0.676 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001503404779 1070637511 /nfs/dbraw/zinc/63/75/11/1070637511.db2.gz OTJPTOLNJLVUTC-UHFFFAOYSA-N 1 0 429.529 0.307 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001503404849 1070637460 /nfs/dbraw/zinc/63/74/60/1070637460.db2.gz POIZJPFWXQERMH-CABCVRRESA-N 1 0 435.554 0.842 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001503404852 1070637634 /nfs/dbraw/zinc/63/76/34/1070637634.db2.gz POIZJPFWXQERMH-GJZGRUSLSA-N 1 0 435.554 0.842 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001503404854 1070637585 /nfs/dbraw/zinc/63/75/85/1070637585.db2.gz POIZJPFWXQERMH-HUUCEWRRSA-N 1 0 435.554 0.842 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001503404856 1070637596 /nfs/dbraw/zinc/63/75/96/1070637596.db2.gz POIZJPFWXQERMH-LSDHHAIUSA-N 1 0 435.554 0.842 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001503404906 1070637490 /nfs/dbraw/zinc/63/74/90/1070637490.db2.gz QBPSBFCBXNAUQJ-GOSISDBHSA-N 1 0 447.584 0.789 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001503404908 1070637548 /nfs/dbraw/zinc/63/75/48/1070637548.db2.gz QBPSBFCBXNAUQJ-SFHVURJKSA-N 1 0 447.584 0.789 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001503404954 1070637536 /nfs/dbraw/zinc/63/75/36/1070637536.db2.gz QJEBJLJRLGMIRZ-MOPGFXCFSA-N 1 0 433.557 0.852 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001503404957 1070637425 /nfs/dbraw/zinc/63/74/25/1070637425.db2.gz QJEBJLJRLGMIRZ-OALUTQOASA-N 1 0 433.557 0.852 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001503404960 1070637611 /nfs/dbraw/zinc/63/76/11/1070637611.db2.gz QJEBJLJRLGMIRZ-RBUKOAKNSA-N 1 0 433.557 0.852 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001503404962 1070637522 /nfs/dbraw/zinc/63/75/22/1070637522.db2.gz QJEBJLJRLGMIRZ-RTBURBONSA-N 1 0 433.557 0.852 20 0 ICADRO Cn1nc(-c2nnc(N3CCOCC3)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001503405058 1070637606 /nfs/dbraw/zinc/63/76/06/1070637606.db2.gz ROLQZCVVVNZCGQ-UHFFFAOYSA-N 1 0 427.509 0.607 20 0 ICADRO Cn1cc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001503405492 1070638292 /nfs/dbraw/zinc/63/82/92/1070638292.db2.gz VZXBFHBLPUNKHD-UHFFFAOYSA-N 1 0 431.545 0.251 20 0 ICADRO CN(c1nnc(C2CCC2)n1CCOCC[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC001503405527 1070638394 /nfs/dbraw/zinc/63/83/94/1070638394.db2.gz WSEBPMMGVAZOPG-UHFFFAOYSA-N 1 0 428.603 0.984 20 0 ICADRO CN1CCC2(CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001503405530 1070638515 /nfs/dbraw/zinc/63/85/15/1070638515.db2.gz WWJBXROXGSRCEB-INIZCTEOSA-N 1 0 433.557 0.256 20 0 ICADRO CN1CCC2(CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001503405531 1070638195 /nfs/dbraw/zinc/63/81/95/1070638195.db2.gz WWJBXROXGSRCEB-MRXNPFEDSA-N 1 0 433.557 0.256 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001503405743 1070638529 /nfs/dbraw/zinc/63/85/29/1070638529.db2.gz ZXLBLEBSZOHYRE-INIZCTEOSA-N 1 0 445.524 0.363 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001503405745 1070638249 /nfs/dbraw/zinc/63/82/49/1070638249.db2.gz ZXLBLEBSZOHYRE-MRXNPFEDSA-N 1 0 445.524 0.363 20 0 ICADRO 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426.587 0.989 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001503624068 1070694290 /nfs/dbraw/zinc/69/42/90/1070694290.db2.gz PDYQNXPGKKDFIL-INIZCTEOSA-N 1 0 438.602 0.784 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001503624069 1070694378 /nfs/dbraw/zinc/69/43/78/1070694378.db2.gz PDYQNXPGKKDFIL-MRXNPFEDSA-N 1 0 438.602 0.784 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001503624297 1070694400 /nfs/dbraw/zinc/69/44/00/1070694400.db2.gz UDECWIHEMXJFIB-HNNXBMFYSA-N 1 0 434.526 0.616 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001503624298 1070694242 /nfs/dbraw/zinc/69/42/42/1070694242.db2.gz UDECWIHEMXJFIB-OAHLLOKOSA-N 1 0 434.526 0.616 20 0 ICADRO Cn1cc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCOCCCO)cn1 ZINC001503646235 1070701693 /nfs/dbraw/zinc/70/16/93/1070701693.db2.gz BMRXVVGVACHTGF-UHFFFAOYSA-N 1 0 433.557 0.626 20 0 ICADRO 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ZINC001503664106 1070707766 /nfs/dbraw/zinc/70/77/66/1070707766.db2.gz USIXHJZOTWHSMH-OAHLLOKOSA-N 1 0 438.558 0.574 20 0 ICADRO Cn1cccc1-c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001503670003 1070709000 /nfs/dbraw/zinc/70/90/00/1070709000.db2.gz LKSGGVGTFKOZKK-UHFFFAOYSA-N 1 0 437.570 0.134 20 0 ICADRO Cn1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001503671845 1070709546 /nfs/dbraw/zinc/70/95/46/1070709546.db2.gz KDZFLLJRMWUXKX-HNNXBMFYSA-N 1 0 436.586 0.668 20 0 ICADRO Cn1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001503671848 1070710077 /nfs/dbraw/zinc/71/00/77/1070710077.db2.gz KDZFLLJRMWUXKX-OAHLLOKOSA-N 1 0 436.586 0.668 20 0 ICADRO Cn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001503673085 1070710472 /nfs/dbraw/zinc/71/04/72/1070710472.db2.gz NYVIZLNRIHOFDN-HNNXBMFYSA-N 1 0 436.586 0.668 20 0 ICADRO Cn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001503673086 1070710562 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FOHJIBICVLFSAS-SFHVURJKSA-N 1 0 440.474 0.876 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CO)CC2)C1 ZINC001503677462 1070713714 /nfs/dbraw/zinc/71/37/14/1070713714.db2.gz AFUQFUPQMUNLCQ-FQEVSTJZSA-N 1 0 434.566 0.545 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CO)CC2)C1 ZINC001503677464 1070713277 /nfs/dbraw/zinc/71/32/77/1070713277.db2.gz AFUQFUPQMUNLCQ-HXUWFJFHSA-N 1 0 434.566 0.545 20 0 ICADRO CN(CC(C)(C)CN1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503677496 1070713888 /nfs/dbraw/zinc/71/38/88/1070713888.db2.gz APGOHJDLETYNEM-HTAPYJJXSA-N 1 0 449.600 0.090 20 0 ICADRO CN(CC(C)(C)CN1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503677497 1070713603 /nfs/dbraw/zinc/71/36/03/1070713603.db2.gz APGOHJDLETYNEM-JTSKRJEESA-N 1 0 449.600 0.090 20 0 ICADRO CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503677498 1070713809 /nfs/dbraw/zinc/71/38/09/1070713809.db2.gz APGOHJDLETYNEM-VGOFRKELSA-N 1 0 449.600 0.090 20 0 ICADRO CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503677499 1070713353 /nfs/dbraw/zinc/71/33/53/1070713353.db2.gz APGOHJDLETYNEM-VGSWGCGISA-N 1 0 449.600 0.090 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(C3CCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001503677891 1070713660 /nfs/dbraw/zinc/71/36/60/1070713660.db2.gz CVKUPNPFALOCLF-BEFAXECRSA-N 1 0 426.587 0.378 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(C3CCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001503677893 1070713688 /nfs/dbraw/zinc/71/36/88/1070713688.db2.gz CVKUPNPFALOCLF-DNVCBOLYSA-N 1 0 426.587 0.378 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001503677895 1070713325 /nfs/dbraw/zinc/71/33/25/1070713325.db2.gz CVKUPNPFALOCLF-HNAYVOBHSA-N 1 0 426.587 0.378 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001503677896 1070714820 /nfs/dbraw/zinc/71/48/20/1070714820.db2.gz CVKUPNPFALOCLF-KXBFYZLASA-N 1 0 426.587 0.378 20 0 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CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503711513 1070733528 /nfs/dbraw/zinc/73/35/28/1070733528.db2.gz ATMMFNQBQBHMIX-INIZCTEOSA-N 1 0 429.573 0.579 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503711517 1070733681 /nfs/dbraw/zinc/73/36/81/1070733681.db2.gz ATMMFNQBQBHMIX-MRXNPFEDSA-N 1 0 429.573 0.579 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503712015 1070734053 /nfs/dbraw/zinc/73/40/53/1070734053.db2.gz FBNSEQMJDKHUCF-INIZCTEOSA-N 1 0 430.557 0.789 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503712016 1070734085 /nfs/dbraw/zinc/73/40/85/1070734085.db2.gz FBNSEQMJDKHUCF-MRXNPFEDSA-N 1 0 430.557 0.789 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503716299 1070735692 /nfs/dbraw/zinc/73/56/92/1070735692.db2.gz HYTOSRNGNQOCMQ-AOMKIAJQSA-N 1 0 430.553 0.762 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503716302 1070736099 /nfs/dbraw/zinc/73/60/99/1070736099.db2.gz HYTOSRNGNQOCMQ-KSFYIVLOSA-N 1 0 430.553 0.762 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503716306 1070736039 /nfs/dbraw/zinc/73/60/39/1070736039.db2.gz HYTOSRNGNQOCMQ-OPAMFIHVSA-N 1 0 430.553 0.762 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503716311 1070736063 /nfs/dbraw/zinc/73/60/63/1070736063.db2.gz HYTOSRNGNQOCMQ-ZHRRBRCNSA-N 1 0 430.553 0.762 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503717416 1070736640 /nfs/dbraw/zinc/73/66/40/1070736640.db2.gz OPNLVXDHJUAURP-DOTOQJQBSA-N 1 0 449.600 0.937 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503717418 1070736456 /nfs/dbraw/zinc/73/64/56/1070736456.db2.gz OPNLVXDHJUAURP-NVXWUHKLSA-N 1 0 449.600 0.937 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503717420 1070736471 /nfs/dbraw/zinc/73/64/71/1070736471.db2.gz OPNLVXDHJUAURP-RDJZCZTQSA-N 1 0 449.600 0.937 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503717421 1070736749 /nfs/dbraw/zinc/73/67/49/1070736749.db2.gz OPNLVXDHJUAURP-WBVHZDCISA-N 1 0 449.600 0.937 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001503720408 1070738470 /nfs/dbraw/zinc/73/84/70/1070738470.db2.gz JZWKXWDCQKVARC-HRAATJIYSA-N 1 0 435.573 0.226 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001503720409 1070738374 /nfs/dbraw/zinc/73/83/74/1070738374.db2.gz JZWKXWDCQKVARC-IERDGZPVSA-N 1 0 435.573 0.226 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001503720410 1070739006 /nfs/dbraw/zinc/73/90/06/1070739006.db2.gz JZWKXWDCQKVARC-IIBYNOLFSA-N 1 0 435.573 0.226 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001503720412 1070739303 /nfs/dbraw/zinc/73/93/03/1070739303.db2.gz JZWKXWDCQKVARC-KKSFZXQISA-N 1 0 435.573 0.226 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503720697 1070739083 /nfs/dbraw/zinc/73/90/83/1070739083.db2.gz XEQQKNSWYNJNBS-AOMKIAJQSA-N 1 0 440.552 0.402 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503720698 1070739152 /nfs/dbraw/zinc/73/91/52/1070739152.db2.gz XEQQKNSWYNJNBS-KSFYIVLOSA-N 1 0 440.552 0.402 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503720699 1070739045 /nfs/dbraw/zinc/73/90/45/1070739045.db2.gz XEQQKNSWYNJNBS-OPAMFIHVSA-N 1 0 440.552 0.402 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503720700 1070738942 /nfs/dbraw/zinc/73/89/42/1070738942.db2.gz XEQQKNSWYNJNBS-ZHRRBRCNSA-N 1 0 440.552 0.402 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001503722439 1070740328 /nfs/dbraw/zinc/74/03/28/1070740328.db2.gz WTPRXXVTYNCCNZ-FQEVSTJZSA-N 1 0 435.573 0.490 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001503722441 1070740405 /nfs/dbraw/zinc/74/04/05/1070740405.db2.gz WTPRXXVTYNCCNZ-HXUWFJFHSA-N 1 0 435.573 0.490 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001503724300 1070741468 /nfs/dbraw/zinc/74/14/68/1070741468.db2.gz VEJHXTINDIESCE-FRIZHTMISA-N 1 0 441.602 0.191 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001503724301 1070741604 /nfs/dbraw/zinc/74/16/04/1070741604.db2.gz VEJHXTINDIESCE-ZBQZNYHESA-N 1 0 441.602 0.191 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001503724302 1070741520 /nfs/dbraw/zinc/74/15/20/1070741520.db2.gz VEJHXTINDIESCE-ZUEVXXBESA-N 1 0 441.602 0.191 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001503724303 1070741422 /nfs/dbraw/zinc/74/14/22/1070741422.db2.gz VEJHXTINDIESCE-ZXYWRSMDSA-N 1 0 441.602 0.191 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)C1 ZINC001503724716 1070741450 /nfs/dbraw/zinc/74/14/50/1070741450.db2.gz YXTHQOBIVATAQG-KBXCAEBGSA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)C1 ZINC001503724717 1070741644 /nfs/dbraw/zinc/74/16/44/1070741644.db2.gz YXTHQOBIVATAQG-KDOFPFPSSA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)C1 ZINC001503724739 1070742098 /nfs/dbraw/zinc/74/20/98/1070742098.db2.gz YXTHQOBIVATAQG-KSSFIOAISA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)C1 ZINC001503724741 1070742161 /nfs/dbraw/zinc/74/21/61/1070742161.db2.gz YXTHQOBIVATAQG-RDTXWAMCSA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001503725957 1070742226 /nfs/dbraw/zinc/74/22/26/1070742226.db2.gz IDGNAWLSEFYAIB-HTAPYJJXSA-N 1 0 442.568 0.934 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001503725959 1070742265 /nfs/dbraw/zinc/74/22/65/1070742265.db2.gz IDGNAWLSEFYAIB-JTSKRJEESA-N 1 0 442.568 0.934 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001503725961 1070742284 /nfs/dbraw/zinc/74/22/84/1070742284.db2.gz IDGNAWLSEFYAIB-VGOFRKELSA-N 1 0 442.568 0.934 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001503725963 1070742058 /nfs/dbraw/zinc/74/20/58/1070742058.db2.gz IDGNAWLSEFYAIB-VGSWGCGISA-N 1 0 442.568 0.934 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001503725993 1070741981 /nfs/dbraw/zinc/74/19/81/1070741981.db2.gz ILCSFXPKTKWICB-AVRDEDQJSA-N 1 0 444.584 0.878 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001503725995 1070742181 /nfs/dbraw/zinc/74/21/81/1070742181.db2.gz ILCSFXPKTKWICB-GCJKJVERSA-N 1 0 444.584 0.878 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001503725997 1070742812 /nfs/dbraw/zinc/74/28/12/1070742812.db2.gz ILCSFXPKTKWICB-PGRDOPGGSA-N 1 0 444.584 0.878 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001503725998 1070742936 /nfs/dbraw/zinc/74/29/36/1070742936.db2.gz ILCSFXPKTKWICB-XMSQKQJNSA-N 1 0 444.584 0.878 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001503727956 1070742568 /nfs/dbraw/zinc/74/25/68/1070742568.db2.gz XITSNESAXYCWTK-FQEVSTJZSA-N 1 0 428.541 0.808 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001503727958 1070742719 /nfs/dbraw/zinc/74/27/19/1070742719.db2.gz XITSNESAXYCWTK-HXUWFJFHSA-N 1 0 428.541 0.808 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001503730755 1070743934 /nfs/dbraw/zinc/74/39/34/1070743934.db2.gz IAPZOTIFMOBDRL-JBYIUTFZSA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001503730757 1070744151 /nfs/dbraw/zinc/74/41/51/1070744151.db2.gz IAPZOTIFMOBDRL-KGVIQGDOSA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001503730758 1070743824 /nfs/dbraw/zinc/74/38/24/1070743824.db2.gz IAPZOTIFMOBDRL-NJNPRVFISA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001503730761 1070744130 /nfs/dbraw/zinc/74/41/30/1070744130.db2.gz IAPZOTIFMOBDRL-NPPFBWRTSA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCSCC2)C1 ZINC001503731929 1070744588 /nfs/dbraw/zinc/74/45/88/1070744588.db2.gz FNVYUIJKVZMVMF-FQEVSTJZSA-N 1 0 435.598 0.412 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCSCC2)C1 ZINC001503731931 1070744792 /nfs/dbraw/zinc/74/47/92/1070744792.db2.gz FNVYUIJKVZMVMF-HXUWFJFHSA-N 1 0 435.598 0.412 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503733277 1070744709 /nfs/dbraw/zinc/74/47/09/1070744709.db2.gz UXMBSWHSCAGZIZ-DHIUTWEWSA-N 1 0 442.564 0.907 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503733283 1070745231 /nfs/dbraw/zinc/74/52/31/1070745231.db2.gz UXMBSWHSCAGZIZ-GOTSBHOMSA-N 1 0 442.564 0.907 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503733286 1070745149 /nfs/dbraw/zinc/74/51/49/1070745149.db2.gz UXMBSWHSCAGZIZ-PKTZIBPZSA-N 1 0 442.564 0.907 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503733289 1070745256 /nfs/dbraw/zinc/74/52/56/1070745256.db2.gz UXMBSWHSCAGZIZ-XZOQPEGZSA-N 1 0 442.564 0.907 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)C1 ZINC001503736755 1070746510 /nfs/dbraw/zinc/74/65/10/1070746510.db2.gz XCHJRLZZISMWNN-HRAATJIYSA-N 1 0 433.557 0.304 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)C1 ZINC001503736756 1070746373 /nfs/dbraw/zinc/74/63/73/1070746373.db2.gz XCHJRLZZISMWNN-IERDGZPVSA-N 1 0 433.557 0.304 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)C1 ZINC001503736757 1070746183 /nfs/dbraw/zinc/74/61/83/1070746183.db2.gz XCHJRLZZISMWNN-IIBYNOLFSA-N 1 0 433.557 0.304 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)C1 ZINC001503736758 1070746536 /nfs/dbraw/zinc/74/65/36/1070746536.db2.gz XCHJRLZZISMWNN-KKSFZXQISA-N 1 0 433.557 0.304 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001503745840 1070750527 /nfs/dbraw/zinc/75/05/27/1070750527.db2.gz OTLCUKBQRZDCGR-KRWDZBQOSA-N 1 0 449.600 0.614 20 0 ICADRO 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CNC(=O)[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC[NH+]2CCSCC2)CCO1 ZINC001503779362 1070772317 /nfs/dbraw/zinc/77/23/17/1070772317.db2.gz WQALSYOPJULOTC-HZPDHXFCSA-N 1 0 442.586 0.002 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CC[NH+]2CCSCC2)CCO1 ZINC001503779363 1070772505 /nfs/dbraw/zinc/77/25/05/1070772505.db2.gz WQALSYOPJULOTC-JKSUJKDBSA-N 1 0 442.586 0.002 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503779418 1070772431 /nfs/dbraw/zinc/77/24/31/1070772431.db2.gz XBIVUKNZJOJSLT-IBGZPJMESA-N 1 0 443.552 0.062 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503779419 1070772352 /nfs/dbraw/zinc/77/23/52/1070772352.db2.gz XBIVUKNZJOJSLT-LJQANCHMSA-N 1 0 443.552 0.062 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503779552 1070772402 /nfs/dbraw/zinc/77/24/02/1070772402.db2.gz NOEQFSGVJHILJI-MSOLQXFVSA-N 1 0 436.557 0.318 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503779558 1070772884 /nfs/dbraw/zinc/77/28/84/1070772884.db2.gz NOEQFSGVJHILJI-QZTJIDSGSA-N 1 0 436.557 0.318 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503779561 1070773052 /nfs/dbraw/zinc/77/30/52/1070773052.db2.gz NOEQFSGVJHILJI-ROUUACIJSA-N 1 0 436.557 0.318 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503779564 1070772915 /nfs/dbraw/zinc/77/29/15/1070772915.db2.gz NOEQFSGVJHILJI-ZWKOTPCHSA-N 1 0 436.557 0.318 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001503779649 1070773013 /nfs/dbraw/zinc/77/30/13/1070773013.db2.gz OBSYWSSZQFTWDF-MSOLQXFVSA-N 1 0 436.557 0.583 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001503779656 1070772841 /nfs/dbraw/zinc/77/28/41/1070772841.db2.gz OBSYWSSZQFTWDF-QZTJIDSGSA-N 1 0 436.557 0.583 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001503779658 1070772985 /nfs/dbraw/zinc/77/29/85/1070772985.db2.gz OBSYWSSZQFTWDF-ROUUACIJSA-N 1 0 436.557 0.583 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001503779661 1070773191 /nfs/dbraw/zinc/77/31/91/1070773191.db2.gz OBSYWSSZQFTWDF-ZWKOTPCHSA-N 1 0 436.557 0.583 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001503779681 1070773120 /nfs/dbraw/zinc/77/31/20/1070773120.db2.gz OFGXOLMLTXXUFB-DLBZAZTESA-N 1 0 433.557 0.447 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001503779684 1070773549 /nfs/dbraw/zinc/77/35/49/1070773549.db2.gz OFGXOLMLTXXUFB-IAGOWNOFSA-N 1 0 433.557 0.447 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001503779687 1070773674 /nfs/dbraw/zinc/77/36/74/1070773674.db2.gz OFGXOLMLTXXUFB-IRXDYDNUSA-N 1 0 433.557 0.447 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001503779689 1070773500 /nfs/dbraw/zinc/77/35/00/1070773500.db2.gz OFGXOLMLTXXUFB-SJORKVTESA-N 1 0 433.557 0.447 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001503779978 1070773561 /nfs/dbraw/zinc/77/35/61/1070773561.db2.gz OSVCQUCKRHEYAS-BZSNNMDCSA-N 1 0 436.557 0.234 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001503779979 1070773791 /nfs/dbraw/zinc/77/37/91/1070773791.db2.gz OSVCQUCKRHEYAS-KSZLIROESA-N 1 0 436.557 0.234 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001503779980 1070773725 /nfs/dbraw/zinc/77/37/25/1070773725.db2.gz OSVCQUCKRHEYAS-KURKYZTESA-N 1 0 436.557 0.234 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001503779981 1070773519 /nfs/dbraw/zinc/77/35/19/1070773519.db2.gz OSVCQUCKRHEYAS-SQNIBIBYSA-N 1 0 436.557 0.234 20 0 ICADRO 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COc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001504206794 1070882391 /nfs/dbraw/zinc/88/23/91/1070882391.db2.gz ORDHAFQHFHHAOG-HXUWFJFHSA-N 1 0 435.550 0.598 20 0 ICADRO COc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001504209932 1070883417 /nfs/dbraw/zinc/88/34/17/1070883417.db2.gz MOGQZBDSFPFZHM-JQVVWYNYSA-N 1 0 447.536 0.879 20 0 ICADRO COc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001504209934 1070882910 /nfs/dbraw/zinc/88/29/10/1070882910.db2.gz MOGQZBDSFPFZHM-XQBPLPMBSA-N 1 0 447.536 0.879 20 0 ICADRO COc1ccc(CCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001504222479 1070883039 /nfs/dbraw/zinc/88/30/39/1070883039.db2.gz LDTCXGMJXPFPAW-GAJHUEQPSA-N 1 0 442.564 0.805 20 0 ICADRO COc1ccc(CCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001504222481 1070883523 /nfs/dbraw/zinc/88/35/23/1070883523.db2.gz LDTCXGMJXPFPAW-HXOBKFHXSA-N 1 0 442.564 0.805 20 0 ICADRO COc1ccc(CCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001504222483 1070882971 /nfs/dbraw/zinc/88/29/71/1070882971.db2.gz LDTCXGMJXPFPAW-SBUREZEXSA-N 1 0 442.564 0.805 20 0 ICADRO COc1ccc(CCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001504222485 1070883373 /nfs/dbraw/zinc/88/33/73/1070883373.db2.gz LDTCXGMJXPFPAW-UZUQRXQVSA-N 1 0 442.564 0.805 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001504224602 1070884167 /nfs/dbraw/zinc/88/41/67/1070884167.db2.gz CCQOBTAHMCMMGW-HTAPYJJXSA-N 1 0 428.537 0.450 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001504224604 1070883821 /nfs/dbraw/zinc/88/38/21/1070883821.db2.gz CCQOBTAHMCMMGW-JTSKRJEESA-N 1 0 428.537 0.450 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001504224605 1070884262 /nfs/dbraw/zinc/88/42/62/1070884262.db2.gz CCQOBTAHMCMMGW-VGOFRKELSA-N 1 0 428.537 0.450 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001504224607 1070883716 /nfs/dbraw/zinc/88/37/16/1070883716.db2.gz CCQOBTAHMCMMGW-VGSWGCGISA-N 1 0 428.537 0.450 20 0 ICADRO COc1ccc(CCc2nnc(N3CCNC(=O)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001504231388 1070884919 /nfs/dbraw/zinc/88/49/19/1070884919.db2.gz SFTFRTMGZNSMHW-UHFFFAOYSA-N 1 0 442.564 0.855 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)cc1O ZINC001504253189 1070884539 /nfs/dbraw/zinc/88/45/39/1070884539.db2.gz YOJNHIMJYHJKRQ-BTYIYWSLSA-N 1 0 430.509 0.646 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1O ZINC001504253191 1070884968 /nfs/dbraw/zinc/88/49/68/1070884968.db2.gz YOJNHIMJYHJKRQ-QVKFZJNVSA-N 1 0 430.509 0.646 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)cc1O ZINC001504253193 1070885673 /nfs/dbraw/zinc/88/56/73/1070885673.db2.gz YOJNHIMJYHJKRQ-VFNWGFHPSA-N 1 0 430.509 0.646 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1O ZINC001504253196 1070885261 /nfs/dbraw/zinc/88/52/61/1070885261.db2.gz YOJNHIMJYHJKRQ-YCRPNKLZSA-N 1 0 430.509 0.646 20 0 ICADRO COc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001504306071 1070890370 /nfs/dbraw/zinc/89/03/70/1070890370.db2.gz JARQKKJBUQRAFR-JOCHJYFZSA-N 1 0 444.536 0.634 20 0 ICADRO COc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001504306078 1070890249 /nfs/dbraw/zinc/89/02/49/1070890249.db2.gz JARQKKJBUQRAFR-QFIPXVFZSA-N 1 0 444.536 0.634 20 0 ICADRO COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001504439418 1070898764 /nfs/dbraw/zinc/89/87/64/1070898764.db2.gz YCAZRCRJESWZKD-UHFFFAOYSA-N 1 0 444.536 0.649 20 0 ICADRO COc1ccnc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001504452181 1070900041 /nfs/dbraw/zinc/90/00/41/1070900041.db2.gz AIZUAIDOOVTSMF-HNNXBMFYSA-N 1 0 431.545 0.492 20 0 ICADRO COc1ccnc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001504452182 1070900126 /nfs/dbraw/zinc/90/01/26/1070900126.db2.gz AIZUAIDOOVTSMF-OAHLLOKOSA-N 1 0 431.545 0.492 20 0 ICADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001504457031 1070900645 /nfs/dbraw/zinc/90/06/45/1070900645.db2.gz WGVDYBXFVOESJN-AOMKIAJQSA-N 1 0 444.536 0.634 20 0 ICADRO COc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001504457032 1070900588 /nfs/dbraw/zinc/90/05/88/1070900588.db2.gz WGVDYBXFVOESJN-KSFYIVLOSA-N 1 0 444.536 0.634 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001504489027 1070904981 /nfs/dbraw/zinc/90/49/81/1070904981.db2.gz DVJBCMLBOYDSDQ-CALCHBBNSA-N 1 0 436.557 0.867 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001504489260 1070905109 /nfs/dbraw/zinc/90/51/09/1070905109.db2.gz GUWZWVMEJMIJOG-HNNXBMFYSA-N 1 0 435.573 0.617 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001504489264 1070905103 /nfs/dbraw/zinc/90/51/03/1070905103.db2.gz GUWZWVMEJMIJOG-OAHLLOKOSA-N 1 0 435.573 0.617 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001504491605 1070905543 /nfs/dbraw/zinc/90/55/43/1070905543.db2.gz IBUBAYDYLWMXIE-KRWDZBQOSA-N 1 0 447.584 0.820 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001504491610 1070905642 /nfs/dbraw/zinc/90/56/42/1070905642.db2.gz IBUBAYDYLWMXIE-QGZVFWFLSA-N 1 0 447.584 0.820 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001504491878 1070905567 /nfs/dbraw/zinc/90/55/67/1070905567.db2.gz BEIQJAJNWYASAK-UHFFFAOYSA-N 1 0 449.581 0.859 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001504492423 1070905503 /nfs/dbraw/zinc/90/55/03/1070905503.db2.gz VUCARZCTTQXKSO-DOTOQJQBSA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001504492424 1070905516 /nfs/dbraw/zinc/90/55/16/1070905516.db2.gz VUCARZCTTQXKSO-NVXWUHKLSA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001504492425 1070905586 /nfs/dbraw/zinc/90/55/86/1070905586.db2.gz VUCARZCTTQXKSO-RDJZCZTQSA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001504492426 1070905632 /nfs/dbraw/zinc/90/56/32/1070905632.db2.gz VUCARZCTTQXKSO-WBVHZDCISA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC001504492610 1070905618 /nfs/dbraw/zinc/90/56/18/1070905618.db2.gz NKMKEJDQNDBXSV-UHFFFAOYSA-N 1 0 447.584 0.403 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(C)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001504492875 1070905592 /nfs/dbraw/zinc/90/55/92/1070905592.db2.gz WKYKUSCRQIXHTE-UHFFFAOYSA-N 1 0 428.603 0.994 20 0 ICADRO COC1CC[NH+](C2(Cn3c(C)nnc3N(C)CCNS(C)(=O)=O)CCCC2)CC1 ZINC001504493010 1070905524 /nfs/dbraw/zinc/90/55/24/1070905524.db2.gz AQFJGIKLIXDKBY-UHFFFAOYSA-N 1 0 428.603 0.996 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001504493451 1070905610 /nfs/dbraw/zinc/90/56/10/1070905610.db2.gz JIIZRHXWQMXIKQ-UHFFFAOYSA-N 1 0 447.584 0.568 20 0 ICADRO CO[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1(C)C ZINC001504510329 1070907023 /nfs/dbraw/zinc/90/70/23/1070907023.db2.gz KZEXNACWBBNMOV-CVEARBPZSA-N 1 0 429.587 0.620 20 0 ICADRO CO[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1(C)C ZINC001504510331 1070907087 /nfs/dbraw/zinc/90/70/87/1070907087.db2.gz KZEXNACWBBNMOV-HOTGVXAUSA-N 1 0 429.587 0.620 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1(C)C ZINC001504510332 1070907140 /nfs/dbraw/zinc/90/71/40/1070907140.db2.gz KZEXNACWBBNMOV-HZPDHXFCSA-N 1 0 429.587 0.620 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1(C)C ZINC001504510334 1070907042 /nfs/dbraw/zinc/90/70/42/1070907042.db2.gz KZEXNACWBBNMOV-JKSUJKDBSA-N 1 0 429.587 0.620 20 0 ICADRO CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001504525239 1070909734 /nfs/dbraw/zinc/90/97/34/1070909734.db2.gz YAPGCUBJYXUJOK-BRWVUGGUSA-N 1 0 444.602 0.470 20 0 ICADRO CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001504525244 1070909724 /nfs/dbraw/zinc/90/97/24/1070909724.db2.gz YAPGCUBJYXUJOK-GVDBMIGSSA-N 1 0 444.602 0.470 20 0 ICADRO CO[C@@H]1COCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001504525246 1070909584 /nfs/dbraw/zinc/90/95/84/1070909584.db2.gz YAPGCUBJYXUJOK-IXDOHACOSA-N 1 0 444.602 0.470 20 0 ICADRO CO[C@@H]1COCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001504525248 1070909624 /nfs/dbraw/zinc/90/96/24/1070909624.db2.gz YAPGCUBJYXUJOK-YESZJQIVSA-N 1 0 444.602 0.470 20 0 ICADRO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001504528823 1070910194 /nfs/dbraw/zinc/91/01/94/1070910194.db2.gz WTWHDDLELPZSLU-UHFFFAOYSA-N 1 0 435.573 0.443 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001504531705 1070910788 /nfs/dbraw/zinc/91/07/88/1070910788.db2.gz QXPDLJWWCNQAHV-JOCHJYFZSA-N 1 0 444.536 0.315 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001504531708 1070910774 /nfs/dbraw/zinc/91/07/74/1070910774.db2.gz QXPDLJWWCNQAHV-QFIPXVFZSA-N 1 0 444.536 0.315 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001504531725 1070910835 /nfs/dbraw/zinc/91/08/35/1070910835.db2.gz KTQJKDMLRXBJAN-NRFANRHFSA-N 1 0 448.955 0.960 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001504531726 1070910801 /nfs/dbraw/zinc/91/08/01/1070910801.db2.gz KTQJKDMLRXBJAN-OAQYLSRUSA-N 1 0 448.955 0.960 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001504533508 1070911425 /nfs/dbraw/zinc/91/14/25/1070911425.db2.gz AHHLPFDVVVGJSX-MSOLQXFVSA-N 1 0 447.584 0.789 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001504533509 1070911375 /nfs/dbraw/zinc/91/13/75/1070911375.db2.gz AHHLPFDVVVGJSX-QZTJIDSGSA-N 1 0 447.584 0.789 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001504533510 1070911360 /nfs/dbraw/zinc/91/13/60/1070911360.db2.gz AHHLPFDVVVGJSX-ROUUACIJSA-N 1 0 447.584 0.789 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001504533511 1070911433 /nfs/dbraw/zinc/91/14/33/1070911433.db2.gz AHHLPFDVVVGJSX-ZWKOTPCHSA-N 1 0 447.584 0.789 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001504533630 1070911760 /nfs/dbraw/zinc/91/17/60/1070911760.db2.gz BZIIOAOFWHJLNQ-KRWDZBQOSA-N 1 0 447.584 0.646 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001504533654 1070911789 /nfs/dbraw/zinc/91/17/89/1070911789.db2.gz BZIIOAOFWHJLNQ-QGZVFWFLSA-N 1 0 447.584 0.646 20 0 ICADRO COCC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001504533947 1070911948 /nfs/dbraw/zinc/91/19/48/1070911948.db2.gz FBVNDXYNOWVPAO-GOSISDBHSA-N 1 0 444.584 0.917 20 0 ICADRO COCC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001504533949 1070911883 /nfs/dbraw/zinc/91/18/83/1070911883.db2.gz FBVNDXYNOWVPAO-SFHVURJKSA-N 1 0 444.584 0.917 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001504534790 1070912368 /nfs/dbraw/zinc/91/23/68/1070912368.db2.gz LPXTYZHZVSWLJB-MSOLQXFVSA-N 1 0 447.584 0.645 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001504534792 1070912358 /nfs/dbraw/zinc/91/23/58/1070912358.db2.gz LPXTYZHZVSWLJB-QZTJIDSGSA-N 1 0 447.584 0.645 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001504534794 1070912396 /nfs/dbraw/zinc/91/23/96/1070912396.db2.gz LPXTYZHZVSWLJB-ROUUACIJSA-N 1 0 447.584 0.645 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001504534795 1070912335 /nfs/dbraw/zinc/91/23/35/1070912335.db2.gz LPXTYZHZVSWLJB-ZWKOTPCHSA-N 1 0 447.584 0.645 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001504537736 1070913483 /nfs/dbraw/zinc/91/34/83/1070913483.db2.gz ZVRHJHZZZLJESG-KRWDZBQOSA-N 1 0 442.524 0.870 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001504537747 1070913604 /nfs/dbraw/zinc/91/36/04/1070913604.db2.gz ZVRHJHZZZLJESG-QGZVFWFLSA-N 1 0 442.524 0.870 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001504537756 1070913409 /nfs/dbraw/zinc/91/34/09/1070913409.db2.gz WSJKJFKMCIPPPT-OXQOHEQNSA-N 1 0 438.598 0.862 20 0 ICADRO COCC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001504537758 1070913458 /nfs/dbraw/zinc/91/34/58/1070913458.db2.gz WSJKJFKMCIPPPT-UZLBHIALSA-N 1 0 438.598 0.862 20 0 ICADRO COCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001504539724 1070913952 /nfs/dbraw/zinc/91/39/52/1070913952.db2.gz GRBKHTGAIDGCNO-GOSISDBHSA-N 1 0 428.541 0.807 20 0 ICADRO COCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001504539726 1070913964 /nfs/dbraw/zinc/91/39/64/1070913964.db2.gz GRBKHTGAIDGCNO-SFHVURJKSA-N 1 0 428.541 0.807 20 0 ICADRO COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001504584798 1070919291 /nfs/dbraw/zinc/91/92/91/1070919291.db2.gz MLMNNTMPVXRGRM-GOSISDBHSA-N 1 0 443.552 0.746 20 0 ICADRO COC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001504584800 1070919349 /nfs/dbraw/zinc/91/93/49/1070919349.db2.gz MLMNNTMPVXRGRM-SFHVURJKSA-N 1 0 443.552 0.746 20 0 ICADRO COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001504590153 1070920488 /nfs/dbraw/zinc/92/04/88/1070920488.db2.gz OSPOAADBCKQCMH-CEXWTWQISA-N 1 0 449.600 0.495 20 0 ICADRO COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001504590160 1070920325 /nfs/dbraw/zinc/92/03/25/1070920325.db2.gz OSPOAADBCKQCMH-FHWLQOOXSA-N 1 0 449.600 0.495 20 0 ICADRO COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001504590162 1070920553 /nfs/dbraw/zinc/92/05/53/1070920553.db2.gz OSPOAADBCKQCMH-GBESFXJTSA-N 1 0 449.600 0.495 20 0 ICADRO COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001504590164 1070920435 /nfs/dbraw/zinc/92/04/35/1070920435.db2.gz OSPOAADBCKQCMH-QYZOEREBSA-N 1 0 449.600 0.495 20 0 ICADRO COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001504608459 1070922594 /nfs/dbraw/zinc/92/25/94/1070922594.db2.gz LGEOHLURJRGHLP-SFHVURJKSA-N 1 0 448.547 0.831 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001517546544 1070786340 /nfs/dbraw/zinc/78/63/40/1070786340.db2.gz BECOZFXAORKIQJ-FJIDUMEYSA-N 1 0 436.557 0.438 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001517546546 1070786066 /nfs/dbraw/zinc/78/60/66/1070786066.db2.gz BECOZFXAORKIQJ-OWSLCNJRSA-N 1 0 436.557 0.438 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001517546548 1070786198 /nfs/dbraw/zinc/78/61/98/1070786198.db2.gz BECOZFXAORKIQJ-XDNAFOTISA-N 1 0 436.557 0.438 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001517546550 1070786273 /nfs/dbraw/zinc/78/62/73/1070786273.db2.gz BECOZFXAORKIQJ-XSLAGTTESA-N 1 0 436.557 0.438 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001517546819 1070786784 /nfs/dbraw/zinc/78/67/84/1070786784.db2.gz SVUFMKYKAJPCAB-KRWDZBQOSA-N 1 0 447.584 0.616 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001517546820 1070786711 /nfs/dbraw/zinc/78/67/11/1070786711.db2.gz SVUFMKYKAJPCAB-QGZVFWFLSA-N 1 0 447.584 0.616 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001517547427 1070787512 /nfs/dbraw/zinc/78/75/12/1070787512.db2.gz ULEICSIFNSNMQG-KRWDZBQOSA-N 1 0 432.573 0.679 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001517547436 1070787373 /nfs/dbraw/zinc/78/73/73/1070787373.db2.gz ULEICSIFNSNMQG-QGZVFWFLSA-N 1 0 432.573 0.679 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCCC2)CCO1 ZINC001517547535 1070787343 /nfs/dbraw/zinc/78/73/43/1070787343.db2.gz HDTLWKWCSGZHMC-IBGZPJMESA-N 1 0 444.536 0.913 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCCC2)CCO1 ZINC001517547538 1070787274 /nfs/dbraw/zinc/78/72/74/1070787274.db2.gz HDTLWKWCSGZHMC-LJQANCHMSA-N 1 0 444.536 0.913 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001517548210 1070788203 /nfs/dbraw/zinc/78/82/03/1070788203.db2.gz WTPUHQIVWOVLJO-DOTOQJQBSA-N 1 0 445.524 0.248 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001517548211 1070787975 /nfs/dbraw/zinc/78/79/75/1070787975.db2.gz WTPUHQIVWOVLJO-NVXWUHKLSA-N 1 0 445.524 0.248 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001517548212 1070787862 /nfs/dbraw/zinc/78/78/62/1070787862.db2.gz WTPUHQIVWOVLJO-RDJZCZTQSA-N 1 0 445.524 0.248 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001517548213 1070788132 /nfs/dbraw/zinc/78/81/32/1070788132.db2.gz WTPUHQIVWOVLJO-WBVHZDCISA-N 1 0 445.524 0.248 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001517548527 1070788160 /nfs/dbraw/zinc/78/81/60/1070788160.db2.gz VGZKDSIKMLSYRE-IBGZPJMESA-N 1 0 443.552 0.062 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001517548531 1070788042 /nfs/dbraw/zinc/78/80/42/1070788042.db2.gz VGZKDSIKMLSYRE-LJQANCHMSA-N 1 0 443.552 0.062 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)Cc2ccccc2)CCO1 ZINC001517548585 1070788233 /nfs/dbraw/zinc/78/82/33/1070788233.db2.gz UUQKJAVLCJJZPE-MOPGFXCFSA-N 1 0 428.537 0.865 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)Cc2ccccc2)CCO1 ZINC001517548600 1070788001 /nfs/dbraw/zinc/78/80/01/1070788001.db2.gz UUQKJAVLCJJZPE-OALUTQOASA-N 1 0 428.537 0.865 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)Cc2ccccc2)CCO1 ZINC001517548607 1070787916 /nfs/dbraw/zinc/78/79/16/1070787916.db2.gz UUQKJAVLCJJZPE-RBUKOAKNSA-N 1 0 428.537 0.865 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)Cc2ccccc2)CCO1 ZINC001517548611 1070788090 /nfs/dbraw/zinc/78/80/90/1070788090.db2.gz UUQKJAVLCJJZPE-RTBURBONSA-N 1 0 428.537 0.865 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001517549129 1070789169 /nfs/dbraw/zinc/78/91/69/1070789169.db2.gz WYRJVLNZFFYZBI-HKUYNNGSSA-N 1 0 434.585 0.930 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001517549131 1070789322 /nfs/dbraw/zinc/78/93/22/1070789322.db2.gz WYRJVLNZFFYZBI-IEBWSBKVSA-N 1 0 434.585 0.930 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001517549132 1070789266 /nfs/dbraw/zinc/78/92/66/1070789266.db2.gz WYRJVLNZFFYZBI-MJGOQNOKSA-N 1 0 434.585 0.930 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001517549134 1070789051 /nfs/dbraw/zinc/78/90/51/1070789051.db2.gz WYRJVLNZFFYZBI-PKOBYXMFSA-N 1 0 434.585 0.930 20 0 ICADRO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CC1 ZINC001517549192 1070788823 /nfs/dbraw/zinc/78/88/23/1070788823.db2.gz OHXVUMUAMFVPBT-KBPBESRZSA-N 1 0 429.591 0.191 20 0 ICADRO 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COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001518154728 1070904786 /nfs/dbraw/zinc/90/47/86/1070904786.db2.gz FNAGXAQOFDKSFV-KSFYIVLOSA-N 1 0 444.536 0.731 20 0 ICADRO COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518167640 1070906331 /nfs/dbraw/zinc/90/63/31/1070906331.db2.gz OXJPUCXGCRBVQY-DENIHFKCSA-N 1 0 444.536 0.362 20 0 ICADRO COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518167643 1070906377 /nfs/dbraw/zinc/90/63/77/1070906377.db2.gz OXJPUCXGCRBVQY-KNQAVFIVSA-N 1 0 444.536 0.362 20 0 ICADRO COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518167647 1070906315 /nfs/dbraw/zinc/90/63/15/1070906315.db2.gz OXJPUCXGCRBVQY-SIKLNZKXSA-N 1 0 444.536 0.362 20 0 ICADRO COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518167651 1070906465 /nfs/dbraw/zinc/90/64/65/1070906465.db2.gz OXJPUCXGCRBVQY-UGKGYDQZSA-N 1 0 444.536 0.362 20 0 ICADRO COc1ccc(CCc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518196104 1070906928 /nfs/dbraw/zinc/90/69/28/1070906928.db2.gz DYESKAMOVOICJD-AOMKIAJQSA-N 1 0 430.553 0.839 20 0 ICADRO COc1ccc(CCc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518196108 1070906842 /nfs/dbraw/zinc/90/68/42/1070906842.db2.gz DYESKAMOVOICJD-KSFYIVLOSA-N 1 0 430.553 0.839 20 0 ICADRO COc1ccc(CCc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518196110 1070906957 /nfs/dbraw/zinc/90/69/57/1070906957.db2.gz DYESKAMOVOICJD-OPAMFIHVSA-N 1 0 430.553 0.839 20 0 ICADRO COc1ccc(CCc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518196111 1070907479 /nfs/dbraw/zinc/90/74/79/1070907479.db2.gz DYESKAMOVOICJD-ZHRRBRCNSA-N 1 0 430.553 0.839 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001518239223 1070908532 /nfs/dbraw/zinc/90/85/32/1070908532.db2.gz BVSPNBJDRYDPGT-HTAPYJJXSA-N 1 0 444.536 0.949 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001518239229 1070908513 /nfs/dbraw/zinc/90/85/13/1070908513.db2.gz BVSPNBJDRYDPGT-JTSKRJEESA-N 1 0 444.536 0.949 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001518239233 1070908477 /nfs/dbraw/zinc/90/84/77/1070908477.db2.gz BVSPNBJDRYDPGT-VGOFRKELSA-N 1 0 444.536 0.949 20 0 ICADRO COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001518239237 1070908500 /nfs/dbraw/zinc/90/85/00/1070908500.db2.gz BVSPNBJDRYDPGT-VGSWGCGISA-N 1 0 444.536 0.949 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nnnc1-c1ccsc1 ZINC001518324717 1070912750 /nfs/dbraw/zinc/91/27/50/1070912750.db2.gz GLMYAQLUMULZNX-KRWDZBQOSA-N 1 0 427.534 0.807 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001518325123 1070912742 /nfs/dbraw/zinc/91/27/42/1070912742.db2.gz IWEMQWIRNYZWBQ-SFHVURJKSA-N 1 0 436.578 0.350 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C(C)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518326429 1070912595 /nfs/dbraw/zinc/91/25/95/1070912595.db2.gz JAEAWBMDNBMDBN-JOCHJYFZSA-N 1 0 444.536 0.601 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C(C)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518326430 1070912639 /nfs/dbraw/zinc/91/26/39/1070912639.db2.gz JAEAWBMDNBMDBN-QFIPXVFZSA-N 1 0 444.536 0.601 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001518326877 1070912681 /nfs/dbraw/zinc/91/26/81/1070912681.db2.gz UZMDZDXIBRKGLY-KRWDZBQOSA-N 1 0 444.536 0.639 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001518326905 1070912712 /nfs/dbraw/zinc/91/27/12/1070912712.db2.gz VDYNCIDYJYVCMZ-HKBOAZHASA-N 1 0 432.565 0.272 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518331112 1070913190 /nfs/dbraw/zinc/91/31/90/1070913190.db2.gz ULEWMHAIGKSBIK-AOMKIAJQSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518331116 1070913204 /nfs/dbraw/zinc/91/32/04/1070913204.db2.gz ULEWMHAIGKSBIK-KSFYIVLOSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518331122 1070913334 /nfs/dbraw/zinc/91/33/34/1070913334.db2.gz ULEWMHAIGKSBIK-OPAMFIHVSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518331126 1070913313 /nfs/dbraw/zinc/91/33/13/1070913313.db2.gz ULEWMHAIGKSBIK-ZHRRBRCNSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001518336102 1070913728 /nfs/dbraw/zinc/91/37/28/1070913728.db2.gz NKFCSSBVBDLSQS-KRWDZBQOSA-N 1 0 444.536 0.649 20 0 ICADRO COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001518336103 1070913798 /nfs/dbraw/zinc/91/37/98/1070913798.db2.gz NKFCSSBVBDLSQS-QGZVFWFLSA-N 1 0 444.536 0.649 20 0 ICADRO COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001518336131 1070913790 /nfs/dbraw/zinc/91/37/90/1070913790.db2.gz NZSUNBUVYXXGJT-UHFFFAOYSA-N 1 0 432.550 0.851 20 0 ICADRO COc1ccc(OCc2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001518337709 1070913741 /nfs/dbraw/zinc/91/37/41/1070913741.db2.gz SWAHKOQCIWVWIK-JQVVWYNYSA-N 1 0 447.536 0.782 20 0 ICADRO COc1ccc(OCc2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001518337713 1070913752 /nfs/dbraw/zinc/91/37/52/1070913752.db2.gz SWAHKOQCIWVWIK-XQBPLPMBSA-N 1 0 447.536 0.782 20 0 ICADRO COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)[NH+](C)C)c1 ZINC001518349002 1070914311 /nfs/dbraw/zinc/91/43/11/1070914311.db2.gz DBJXGGGWWOPHLS-GOSISDBHSA-N 1 0 441.536 0.648 20 0 ICADRO COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)[NH+](C)C)c1 ZINC001518349004 1070914384 /nfs/dbraw/zinc/91/43/84/1070914384.db2.gz DBJXGGGWWOPHLS-SFHVURJKSA-N 1 0 441.536 0.648 20 0 ICADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)[NH+](C)C)c1 ZINC001518350161 1070914428 /nfs/dbraw/zinc/91/44/28/1070914428.db2.gz MPJQRUQMDBGXIH-AEFFLSMTSA-N 1 0 427.509 0.045 20 0 ICADRO COc1cccc([C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)[NH+](C)C)c1 ZINC001518350180 1070914261 /nfs/dbraw/zinc/91/42/61/1070914261.db2.gz MPJQRUQMDBGXIH-FUHWJXTLSA-N 1 0 427.509 0.045 20 0 ICADRO COc1cccc([C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)[NH+](C)C)c1 ZINC001518350184 1070914273 /nfs/dbraw/zinc/91/42/73/1070914273.db2.gz MPJQRUQMDBGXIH-SJLPKXTDSA-N 1 0 427.509 0.045 20 0 ICADRO COc1cccc([C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)[NH+](C)C)c1 ZINC001518350189 1070914353 /nfs/dbraw/zinc/91/43/53/1070914353.db2.gz MPJQRUQMDBGXIH-WMZOPIPTSA-N 1 0 427.509 0.045 20 0 ICADRO COc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001518363555 1070914907 /nfs/dbraw/zinc/91/49/07/1070914907.db2.gz YQJVTMAEMZIJAR-JOCHJYFZSA-N 1 0 430.553 0.789 20 0 ICADRO COc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001518363557 1070914810 /nfs/dbraw/zinc/91/48/10/1070914810.db2.gz YQJVTMAEMZIJAR-QFIPXVFZSA-N 1 0 430.553 0.789 20 0 ICADRO COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001518375001 1070915317 /nfs/dbraw/zinc/91/53/17/1070915317.db2.gz KBMASCUANUUUDN-JOCHJYFZSA-N 1 0 444.536 0.491 20 0 ICADRO COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001518375003 1070915478 /nfs/dbraw/zinc/91/54/78/1070915478.db2.gz KBMASCUANUUUDN-QFIPXVFZSA-N 1 0 444.536 0.491 20 0 ICADRO COc1cccc(OCCN2CCN(c3nnc(C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC001518415738 1070917585 /nfs/dbraw/zinc/91/75/85/1070917585.db2.gz ZOMDJTRPALZKTC-JOCHJYFZSA-N 1 0 430.553 0.863 20 0 ICADRO COc1cccc(OCCN2CCN(c3nnc(C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC001518415749 1070917489 /nfs/dbraw/zinc/91/74/89/1070917489.db2.gz ZOMDJTRPALZKTC-QFIPXVFZSA-N 1 0 430.553 0.863 20 0 ICADRO 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COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001518897925 1070973076 /nfs/dbraw/zinc/97/30/76/1070973076.db2.gz JCIGUOFAWQISBL-OXQOHEQNSA-N 1 0 438.598 0.803 20 0 ICADRO COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001518897930 1070973142 /nfs/dbraw/zinc/97/31/42/1070973142.db2.gz JCIGUOFAWQISBL-UZLBHIALSA-N 1 0 438.598 0.803 20 0 ICADRO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001518902217 1070974087 /nfs/dbraw/zinc/97/40/87/1070974087.db2.gz ZSBRQHHMGXYIPP-MSOLQXFVSA-N 1 0 438.573 0.769 20 0 ICADRO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001518902219 1070974109 /nfs/dbraw/zinc/97/41/09/1070974109.db2.gz ZSBRQHHMGXYIPP-QZTJIDSGSA-N 1 0 438.573 0.769 20 0 ICADRO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001518902221 1070974120 /nfs/dbraw/zinc/97/41/20/1070974120.db2.gz ZSBRQHHMGXYIPP-ROUUACIJSA-N 1 0 438.573 0.769 20 0 ICADRO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001518902222 1070974061 /nfs/dbraw/zinc/97/40/61/1070974061.db2.gz ZSBRQHHMGXYIPP-ZWKOTPCHSA-N 1 0 438.573 0.769 20 0 ICADRO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001518907543 1070974744 /nfs/dbraw/zinc/97/47/44/1070974744.db2.gz AHXCRHKLCSUUFT-BBWFWOEESA-N 1 0 444.602 0.614 20 0 ICADRO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001518907544 1070974723 /nfs/dbraw/zinc/97/47/23/1070974723.db2.gz AHXCRHKLCSUUFT-IKGGRYGDSA-N 1 0 444.602 0.614 20 0 ICADRO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001518907545 1070974813 /nfs/dbraw/zinc/97/48/13/1070974813.db2.gz AHXCRHKLCSUUFT-ULQDDVLXSA-N 1 0 444.602 0.614 20 0 ICADRO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001518907546 1070974772 /nfs/dbraw/zinc/97/47/72/1070974772.db2.gz AHXCRHKLCSUUFT-ZACQAIPSSA-N 1 0 444.602 0.614 20 0 ICADRO 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COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001519195582 1071023082 /nfs/dbraw/zinc/02/30/82/1071023082.db2.gz JUNINXCKOLFRPE-OAHLLOKOSA-N 1 0 431.545 0.340 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001519195614 1071022885 /nfs/dbraw/zinc/02/28/85/1071022885.db2.gz JZRHSKBKPXPGTP-CVEARBPZSA-N 1 0 435.573 0.488 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001519195622 1071022446 /nfs/dbraw/zinc/02/24/46/1071022446.db2.gz JZRHSKBKPXPGTP-HOTGVXAUSA-N 1 0 435.573 0.488 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001519195626 1071022847 /nfs/dbraw/zinc/02/28/47/1071022847.db2.gz JZRHSKBKPXPGTP-HZPDHXFCSA-N 1 0 435.573 0.488 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001519195632 1071022761 /nfs/dbraw/zinc/02/27/61/1071022761.db2.gz JZRHSKBKPXPGTP-JKSUJKDBSA-N 1 0 435.573 0.488 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001519196359 1071023889 /nfs/dbraw/zinc/02/38/89/1071023889.db2.gz LNRBPGLGMKCJRE-INIZCTEOSA-N 1 0 437.589 0.878 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001519196364 1071023639 /nfs/dbraw/zinc/02/36/39/1071023639.db2.gz LNRBPGLGMKCJRE-MRXNPFEDSA-N 1 0 437.589 0.878 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001519196566 1071023755 /nfs/dbraw/zinc/02/37/55/1071023755.db2.gz MJZSAOUQTZFWMI-INIZCTEOSA-N 1 0 430.557 0.761 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001519196570 1071023842 /nfs/dbraw/zinc/02/38/42/1071023842.db2.gz MJZSAOUQTZFWMI-MRXNPFEDSA-N 1 0 430.557 0.761 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCCC2)CC1=O ZINC001519196902 1071024671 /nfs/dbraw/zinc/02/46/71/1071024671.db2.gz NSQHKMWABWSAOC-GOSISDBHSA-N 1 0 447.584 0.541 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCCC2)CC1=O ZINC001519196913 1071024390 /nfs/dbraw/zinc/02/43/90/1071024390.db2.gz NSQHKMWABWSAOC-SFHVURJKSA-N 1 0 447.584 0.541 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2snnc2C)C[C@@H]1C ZINC001519196951 1071024400 /nfs/dbraw/zinc/02/44/00/1071024400.db2.gz NXBYFLDRJKEALP-AWEZNQCLSA-N 1 0 434.570 0.879 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2snnc2C)C[C@H]1C ZINC001519196954 1071024628 /nfs/dbraw/zinc/02/46/28/1071024628.db2.gz NXBYFLDRJKEALP-CQSZACIVSA-N 1 0 434.570 0.879 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001519197100 1071024488 /nfs/dbraw/zinc/02/44/88/1071024488.db2.gz OQZKAEAWSXMVSM-UHFFFAOYSA-N 1 0 449.600 0.393 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC001519197159 1071024580 /nfs/dbraw/zinc/02/45/80/1071024580.db2.gz OXCATDSGVIMDJC-INIZCTEOSA-N 1 0 433.557 0.196 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC001519197161 1071024565 /nfs/dbraw/zinc/02/45/65/1071024565.db2.gz OXCATDSGVIMDJC-MRXNPFEDSA-N 1 0 433.557 0.196 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001519198258 1071025875 /nfs/dbraw/zinc/02/58/75/1071025875.db2.gz UTWGMEXTNPZLCH-MSOLQXFVSA-N 1 0 436.557 0.477 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)C[C@H]1C ZINC001519198259 1071025629 /nfs/dbraw/zinc/02/56/29/1071025629.db2.gz UTWGMEXTNPZLCH-QZTJIDSGSA-N 1 0 436.557 0.477 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001519198260 1071025904 /nfs/dbraw/zinc/02/59/04/1071025904.db2.gz UTWGMEXTNPZLCH-ROUUACIJSA-N 1 0 436.557 0.477 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001519198262 1071025757 /nfs/dbraw/zinc/02/57/57/1071025757.db2.gz UTWGMEXTNPZLCH-ZWKOTPCHSA-N 1 0 436.557 0.477 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC001519198849 1071025735 /nfs/dbraw/zinc/02/57/35/1071025735.db2.gz WWVFYDAZJITSMW-INIZCTEOSA-N 1 0 433.557 0.292 20 0 ICADRO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC001519198850 1071025792 /nfs/dbraw/zinc/02/57/92/1071025792.db2.gz WWVFYDAZJITSMW-MRXNPFEDSA-N 1 0 433.557 0.292 20 0 ICADRO COCCN1CCN(c2nnc(C(C)C)n2CC2CC[NH+](CCN(C)C)CC2)CC1=O ZINC001519199368 1071026433 /nfs/dbraw/zinc/02/64/33/1071026433.db2.gz NACYLHAWZXEFEH-UHFFFAOYSA-N 1 0 435.617 0.970 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C[C@H]1C ZINC001519199691 1071026641 /nfs/dbraw/zinc/02/66/41/1071026641.db2.gz NTSIFTKLPKPDSC-CABCVRRESA-N 1 0 441.558 0.390 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C[C@@H]1C ZINC001519199692 1071026727 /nfs/dbraw/zinc/02/67/27/1071026727.db2.gz NTSIFTKLPKPDSC-GJZGRUSLSA-N 1 0 441.558 0.390 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C[C@H]1C ZINC001519199693 1071026506 /nfs/dbraw/zinc/02/65/06/1071026506.db2.gz NTSIFTKLPKPDSC-HUUCEWRRSA-N 1 0 441.558 0.390 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C[C@@H]1C ZINC001519199694 1071026525 /nfs/dbraw/zinc/02/65/25/1071026525.db2.gz NTSIFTKLPKPDSC-LSDHHAIUSA-N 1 0 441.558 0.390 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(O)CCC2)C[C@H]1C ZINC001519200764 1071026471 /nfs/dbraw/zinc/02/64/71/1071026471.db2.gz UHYJAHPZNGERMC-CVEARBPZSA-N 1 0 444.602 0.350 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(O)CCC2)C[C@@H]1C ZINC001519200765 1071026619 /nfs/dbraw/zinc/02/66/19/1071026619.db2.gz UHYJAHPZNGERMC-HOTGVXAUSA-N 1 0 444.602 0.350 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(O)CCC2)C[C@H]1C ZINC001519200766 1071026685 /nfs/dbraw/zinc/02/66/85/1071026685.db2.gz UHYJAHPZNGERMC-HZPDHXFCSA-N 1 0 444.602 0.350 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(O)CCC2)C[C@@H]1C ZINC001519200767 1071027352 /nfs/dbraw/zinc/02/73/52/1071027352.db2.gz UHYJAHPZNGERMC-JKSUJKDBSA-N 1 0 444.602 0.350 20 0 ICADRO COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001519204661 1071027137 /nfs/dbraw/zinc/02/71/37/1071027137.db2.gz OBDUPPVXUYDVBK-FQEVSTJZSA-N 1 0 449.943 0.355 20 0 ICADRO COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001519204662 1071027231 /nfs/dbraw/zinc/02/72/31/1071027231.db2.gz OBDUPPVXUYDVBK-HXUWFJFHSA-N 1 0 449.943 0.355 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001519206255 1071027249 /nfs/dbraw/zinc/02/72/49/1071027249.db2.gz BFUILIZLPORFCN-HOCLYGCPSA-N 1 0 430.513 0.418 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001519206269 1071027927 /nfs/dbraw/zinc/02/79/27/1071027927.db2.gz BFUILIZLPORFCN-ZBFHGGJFSA-N 1 0 430.513 0.418 20 0 ICADRO COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001519206292 1071027607 /nfs/dbraw/zinc/02/76/07/1071027607.db2.gz BKIKIILXRFQGQU-UHFFFAOYSA-N 1 0 430.557 0.848 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)C[C@H]1C ZINC001519206347 1071027842 /nfs/dbraw/zinc/02/78/42/1071027842.db2.gz CADSVOLNMDECHW-MSOLQXFVSA-N 1 0 432.573 0.556 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)C[C@H]1C ZINC001519206365 1071027714 /nfs/dbraw/zinc/02/77/14/1071027714.db2.gz CADSVOLNMDECHW-QZTJIDSGSA-N 1 0 432.573 0.556 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)C[C@@H]1C ZINC001519206366 1071027771 /nfs/dbraw/zinc/02/77/71/1071027771.db2.gz CADSVOLNMDECHW-ROUUACIJSA-N 1 0 432.573 0.556 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC001519206367 1071027955 /nfs/dbraw/zinc/02/79/55/1071027955.db2.gz CADSVOLNMDECHW-ZWKOTPCHSA-N 1 0 432.573 0.556 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001519206901 1071027694 /nfs/dbraw/zinc/02/76/94/1071027694.db2.gz FAXCABOIUBSXEV-HNNXBMFYSA-N 1 0 425.559 0.322 20 0 ICADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001519206902 1071027823 /nfs/dbraw/zinc/02/78/23/1071027823.db2.gz FAXCABOIUBSXEV-OAHLLOKOSA-N 1 0 425.559 0.322 20 0 ICADRO COCCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001519206962 1071027622 /nfs/dbraw/zinc/02/76/22/1071027622.db2.gz FMSOKQRDVRWEDZ-FQEVSTJZSA-N 1 0 446.600 0.804 20 0 ICADRO COCCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001519206964 1071027882 /nfs/dbraw/zinc/02/78/82/1071027882.db2.gz FMSOKQRDVRWEDZ-HXUWFJFHSA-N 1 0 446.600 0.804 20 0 ICADRO COCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC1=O ZINC001519206970 1071027947 /nfs/dbraw/zinc/02/79/47/1071027947.db2.gz FOGMLPUSXRETOU-FQEVSTJZSA-N 1 0 446.581 0.467 20 0 ICADRO COCCN1CCN(c2nnc(-c3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)CC1=O ZINC001519206978 1071027744 /nfs/dbraw/zinc/02/77/44/1071027744.db2.gz FOGMLPUSXRETOU-HXUWFJFHSA-N 1 0 446.581 0.467 20 0 ICADRO 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VSVFJRNDQIUAPS-UGKGYDQZSA-N 1 0 430.553 0.962 20 0 ICADRO COCCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001519373536 1071067701 /nfs/dbraw/zinc/06/77/01/1071067701.db2.gz SBEDPGTUFQIDTO-GOSISDBHSA-N 1 0 431.541 0.824 20 0 ICADRO COCCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001519373733 1071067857 /nfs/dbraw/zinc/06/78/57/1071067857.db2.gz SBEDPGTUFQIDTO-SFHVURJKSA-N 1 0 431.541 0.824 20 0 ICADRO COCCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001519385061 1071070729 /nfs/dbraw/zinc/07/07/29/1071070729.db2.gz XVYBPBBNGCLFBG-DLBZAZTESA-N 1 0 429.587 0.762 20 0 ICADRO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001519385062 1071070604 /nfs/dbraw/zinc/07/06/04/1071070604.db2.gz XVYBPBBNGCLFBG-IAGOWNOFSA-N 1 0 429.587 0.762 20 0 ICADRO COCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001519385063 1071070861 /nfs/dbraw/zinc/07/08/61/1071070861.db2.gz XVYBPBBNGCLFBG-IRXDYDNUSA-N 1 0 429.587 0.762 20 0 ICADRO COCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001519385065 1071070556 /nfs/dbraw/zinc/07/05/56/1071070556.db2.gz XVYBPBBNGCLFBG-SJORKVTESA-N 1 0 429.587 0.762 20 0 ICADRO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001519397580 1071072877 /nfs/dbraw/zinc/07/28/77/1071072877.db2.gz JSKNPWCEJHJBLX-HRCADAONSA-N 1 0 430.575 0.224 20 0 ICADRO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001519397584 1071072972 /nfs/dbraw/zinc/07/29/72/1071072972.db2.gz JSKNPWCEJHJBLX-JYJNAYRXSA-N 1 0 430.575 0.224 20 0 ICADRO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001519397586 1071072567 /nfs/dbraw/zinc/07/25/67/1071072567.db2.gz JSKNPWCEJHJBLX-OWCLPIDISA-N 1 0 430.575 0.224 20 0 ICADRO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001519397589 1071073035 /nfs/dbraw/zinc/07/30/35/1071073035.db2.gz JSKNPWCEJHJBLX-PMPSAXMXSA-N 1 0 430.575 0.224 20 0 ICADRO COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001519404422 1071074963 /nfs/dbraw/zinc/07/49/63/1071074963.db2.gz JKERZAARDQEHEU-GOSISDBHSA-N 1 0 446.556 0.338 20 0 ICADRO COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001519404427 1071074663 /nfs/dbraw/zinc/07/46/63/1071074663.db2.gz JKERZAARDQEHEU-SFHVURJKSA-N 1 0 446.556 0.338 20 0 ICADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001519429669 1071079745 /nfs/dbraw/zinc/07/97/45/1071079745.db2.gz GHSMRBULNGBTCL-BBRMVZONSA-N 1 0 426.514 0.058 20 0 ICADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001519429673 1071079672 /nfs/dbraw/zinc/07/96/72/1071079672.db2.gz GHSMRBULNGBTCL-CJNGLKHVSA-N 1 0 426.514 0.058 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](C)[NH+](C)C ZINC001519431373 1071080586 /nfs/dbraw/zinc/08/05/86/1071080586.db2.gz RZMHWHRHRDDSKK-VYDXJSESSA-N 1 0 444.602 0.470 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001519431377 1071080557 /nfs/dbraw/zinc/08/05/57/1071080557.db2.gz RZMHWHRHRDDSKK-ZOBUZTSGSA-N 1 0 444.602 0.470 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+](C)C(C)C ZINC001519432345 1071080423 /nfs/dbraw/zinc/08/04/23/1071080423.db2.gz WLIMICBWZOIKNB-BBWFWOEESA-N 1 0 429.587 0.966 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC[N@H+](C)C(C)C ZINC001519432347 1071080333 /nfs/dbraw/zinc/08/03/33/1071080333.db2.gz WLIMICBWZOIKNB-ULQDDVLXSA-N 1 0 429.587 0.966 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519440464 1071081881 /nfs/dbraw/zinc/08/18/81/1071081881.db2.gz CGZCMKWPOLOXIG-CNTRQJEFSA-N 1 0 436.557 0.126 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519440466 1071081740 /nfs/dbraw/zinc/08/17/40/1071081740.db2.gz CGZCMKWPOLOXIG-DBSRCYSRSA-N 1 0 436.557 0.126 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519440468 1071081622 /nfs/dbraw/zinc/08/16/22/1071081622.db2.gz CGZCMKWPOLOXIG-NKMKZGIRSA-N 1 0 436.557 0.126 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519440471 1071081665 /nfs/dbraw/zinc/08/16/65/1071081665.db2.gz CGZCMKWPOLOXIG-QUJKESNLSA-N 1 0 436.557 0.126 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001519443179 1071082516 /nfs/dbraw/zinc/08/25/16/1071082516.db2.gz QRQDBNRUJBXPGR-HKUYNNGSSA-N 1 0 449.600 0.307 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCOCC[NH+](C)C ZINC001519443265 1071082374 /nfs/dbraw/zinc/08/23/74/1071082374.db2.gz RTOGQCMOLKSXAV-NEWSRXKRSA-N 1 0 438.573 0.637 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCOCC[NH+](C)C ZINC001519443267 1071082590 /nfs/dbraw/zinc/08/25/90/1071082590.db2.gz RTOGQCMOLKSXAV-WDSOQIARSA-N 1 0 438.573 0.637 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001519445715 1071082946 /nfs/dbraw/zinc/08/29/46/1071082946.db2.gz FPSVSQZFTYVUME-ICSRJNTNSA-N 1 0 449.600 0.308 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001519451017 1071085366 /nfs/dbraw/zinc/08/53/66/1071085366.db2.gz NFTBEABSQGOYMC-IRXDYDNUSA-N 1 0 441.598 0.682 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519451058 1071085379 /nfs/dbraw/zinc/08/53/79/1071085379.db2.gz RCHXXBCKAKQZSV-JTOWHCCKSA-N 1 0 449.474 0.836 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519451061 1071085233 /nfs/dbraw/zinc/08/52/33/1071085233.db2.gz RCHXXBCKAKQZSV-KRXQYRFLSA-N 1 0 449.474 0.836 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519451063 1071085305 /nfs/dbraw/zinc/08/53/05/1071085305.db2.gz RCHXXBCKAKQZSV-XSWJXKHESA-N 1 0 449.474 0.836 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519451066 1071085187 /nfs/dbraw/zinc/08/51/87/1071085187.db2.gz RCHXXBCKAKQZSV-YRBFXIGRSA-N 1 0 449.474 0.836 20 0 ICADRO COC[C@H]1[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@H+]3CC=CCC3)CC[C@H]12 ZINC001519453042 1071086484 /nfs/dbraw/zinc/08/64/84/1071086484.db2.gz JJIMZSCUPMGGEX-WNRNVDISSA-N 1 0 438.598 0.869 20 0 ICADRO COC[C@H]1[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+]3CC=CCC3)CC[C@H]12 ZINC001519453043 1071086194 /nfs/dbraw/zinc/08/61/94/1071086194.db2.gz JJIMZSCUPMGGEX-XMTFNYHQSA-N 1 0 438.598 0.869 20 0 ICADRO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001519453646 1071087030 /nfs/dbraw/zinc/08/70/30/1071087030.db2.gz FIZYEMFOQQTJSV-HNNXBMFYSA-N 1 0 430.575 0.921 20 0 ICADRO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001519453647 1071086934 /nfs/dbraw/zinc/08/69/34/1071086934.db2.gz FIZYEMFOQQTJSV-OAHLLOKOSA-N 1 0 430.575 0.921 20 0 ICADRO 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ZINC001519470519 1071087975 /nfs/dbraw/zinc/08/79/75/1071087975.db2.gz SKMFKTNNEGRRMV-INIZCTEOSA-N 1 0 430.575 0.731 20 0 ICADRO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(C)CC1 ZINC001519470520 1071088196 /nfs/dbraw/zinc/08/81/96/1071088196.db2.gz SKMFKTNNEGRRMV-MRXNPFEDSA-N 1 0 430.575 0.731 20 0 ICADRO CON(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001519471440 1071088219 /nfs/dbraw/zinc/08/82/19/1071088219.db2.gz ZALNWZOLLMJCRK-KRWDZBQOSA-N 1 0 449.581 0.785 20 0 ICADRO CON(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001519471441 1071088039 /nfs/dbraw/zinc/08/80/39/1071088039.db2.gz ZALNWZOLLMJCRK-QGZVFWFLSA-N 1 0 449.581 0.785 20 0 ICADRO CO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001519472684 1071087937 /nfs/dbraw/zinc/08/79/37/1071087937.db2.gz FDBIYXJKLDJGDJ-BBWFWOEESA-N 1 0 444.602 0.470 20 0 ICADRO CO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001519472685 1071088164 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CSC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001520210658 1071154851 /nfs/dbraw/zinc/15/48/51/1071154851.db2.gz IOJHHVWMLGOJEN-GRDNDAEWSA-N 1 0 432.616 0.287 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001520210663 1071154901 /nfs/dbraw/zinc/15/49/01/1071154901.db2.gz IOJHHVWMLGOJEN-JKIFEVAISA-N 1 0 432.616 0.287 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001520210668 1071154790 /nfs/dbraw/zinc/15/47/90/1071154790.db2.gz IOJHHVWMLGOJEN-KEYYUXOJSA-N 1 0 432.616 0.287 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001520210673 1071154835 /nfs/dbraw/zinc/15/48/35/1071154835.db2.gz IOJHHVWMLGOJEN-ZQIUZPCESA-N 1 0 432.616 0.287 20 0 ICADRO CC(C)(C)[NH2+]CCC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001520293426 1071156190 /nfs/dbraw/zinc/15/61/90/1071156190.db2.gz ZOHBAJZESJEPFL-UHFFFAOYSA-N 1 0 435.568 0.685 20 0 ICADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CSc2nnnn2CC(F)(F)F)c1 ZINC001520540514 1071159101 /nfs/dbraw/zinc/15/91/01/1071159101.db2.gz OMKNRGYMFCIMSK-UHFFFAOYSA-N 1 0 445.471 0.935 20 0 ICADRO CN1C(=O)CO[C@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1c1cccnc1 ZINC001520541320 1071159133 /nfs/dbraw/zinc/15/91/33/1071159133.db2.gz XLYDCQULJSAFSJ-RTWAWAEBSA-N 1 0 439.516 0.588 20 0 ICADRO CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520560221 1071159800 /nfs/dbraw/zinc/15/98/00/1071159800.db2.gz RWZLPEOGIFCYKX-INIZCTEOSA-N 1 0 446.643 0.895 20 0 ICADRO CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520560222 1071159752 /nfs/dbraw/zinc/15/97/52/1071159752.db2.gz RWZLPEOGIFCYKX-MRXNPFEDSA-N 1 0 446.643 0.895 20 0 ICADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCCCN3C(=O)NC(C)(C)C3=O)c2)CC1 ZINC001520696621 1071162427 /nfs/dbraw/zinc/16/24/27/1071162427.db2.gz ROKHFPBANHKZPL-UHFFFAOYSA-N 1 0 430.553 0.954 20 0 ICADRO 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C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCC2)CCN1S(C)(=O)=O ZINC001520774427 1071165160 /nfs/dbraw/zinc/16/51/60/1071165160.db2.gz SFNVLUILEQZJGJ-INIZCTEOSA-N 1 0 434.570 0.691 20 0 ICADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CC=CCC2)CCN1S(C)(=O)=O ZINC001520802345 1071167560 /nfs/dbraw/zinc/16/75/60/1071167560.db2.gz MHGZRQMSVAROQL-SFHVURJKSA-N 1 0 445.593 0.996 20 0 ICADRO C[C@H]1CN(c2nnc(CC3CC3)n2CC[NH+]2CCSCC2)CCN1S(C)(=O)=O ZINC001520810650 1071167504 /nfs/dbraw/zinc/16/75/04/1071167504.db2.gz RUGVQZNYWCVFJE-HNNXBMFYSA-N 1 0 428.628 0.750 20 0 ICADRO CN1CCn2nc(C(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)cc2S1(=O)=O ZINC001520817932 1071168421 /nfs/dbraw/zinc/16/84/21/1071168421.db2.gz IQGXDMRLKCYLPG-UHFFFAOYSA-N 1 0 447.561 0.964 20 0 ICADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccccn2)n1CCNS(C)(=O)=O ZINC001520822490 1071168462 /nfs/dbraw/zinc/16/84/62/1071168462.db2.gz QMLMGNFKDPMQNP-INIZCTEOSA-N 1 0 449.581 0.579 20 0 ICADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)F 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NC(=O)COC1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCCCC2)CC1 ZINC001521250046 1071189489 /nfs/dbraw/zinc/18/94/89/1071189489.db2.gz ALTYRWHGFKDVPS-UHFFFAOYSA-N 1 0 447.584 0.747 20 0 ICADRO NC(=O)COC1CCN(c2nnc([C@H]3CCOC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001521250451 1071189330 /nfs/dbraw/zinc/18/93/30/1071189330.db2.gz HOONCCCSTHLGNB-KRWDZBQOSA-N 1 0 436.557 0.365 20 0 ICADRO NC(=O)COC1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001521250452 1071189444 /nfs/dbraw/zinc/18/94/44/1071189444.db2.gz HOONCCCSTHLGNB-QGZVFWFLSA-N 1 0 436.557 0.365 20 0 ICADRO NC(=O)COC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)CC1 ZINC001521250458 1071189467 /nfs/dbraw/zinc/18/94/67/1071189467.db2.gz HSSJKBDJQTWDPQ-UHFFFAOYSA-N 1 0 447.584 0.747 20 0 ICADRO O=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NCC(F)(F)F ZINC001521326163 1071193123 /nfs/dbraw/zinc/19/31/23/1071193123.db2.gz DQXYEYCJBGYYOC-KBPBESRZSA-N 1 0 443.474 0.972 20 0 ICADRO O=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NCC(F)(F)F ZINC001521326164 1071193197 /nfs/dbraw/zinc/19/31/97/1071193197.db2.gz DQXYEYCJBGYYOC-KGLIPLIRSA-N 1 0 443.474 0.972 20 0 ICADRO O=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NCC(F)(F)F ZINC001521326165 1071193239 /nfs/dbraw/zinc/19/32/39/1071193239.db2.gz DQXYEYCJBGYYOC-UONOGXRCSA-N 1 0 443.474 0.972 20 0 ICADRO O=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NCC(F)(F)F ZINC001521326166 1071193299 /nfs/dbraw/zinc/19/32/99/1071193299.db2.gz DQXYEYCJBGYYOC-ZIAGYGMSSA-N 1 0 443.474 0.972 20 0 ICADRO O=C(Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CCOCC2)CC1)NCC(F)F ZINC001521336994 1071194741 /nfs/dbraw/zinc/19/47/41/1071194741.db2.gz PKGFKTZXWHHRDU-INIZCTEOSA-N 1 0 442.511 0.712 20 0 ICADRO O=C(Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC2CCOCC2)CC1)NCC(F)F ZINC001521336995 1071194771 /nfs/dbraw/zinc/19/47/71/1071194771.db2.gz PKGFKTZXWHHRDU-MRXNPFEDSA-N 1 0 442.511 0.712 20 0 ICADRO O=C(Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C2CCOCC2)CC1)NCC(F)F ZINC001521337504 1071194855 /nfs/dbraw/zinc/19/48/55/1071194855.db2.gz SCJOCYVWYBWQMP-AWEZNQCLSA-N 1 0 428.484 0.464 20 0 ICADRO O=C(Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C2CCOCC2)CC1)NCC(F)F ZINC001521337509 1071194800 /nfs/dbraw/zinc/19/48/00/1071194800.db2.gz SCJOCYVWYBWQMP-CQSZACIVSA-N 1 0 428.484 0.464 20 0 ICADRO O=C(Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1)NCC(F)F ZINC001521346723 1071195557 /nfs/dbraw/zinc/19/55/57/1071195557.db2.gz USKSRVBQVAFUMR-UHFFFAOYSA-N 1 0 449.506 0.946 20 0 ICADRO O=C(Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C2CCCC2)CC1)NCC(F)F ZINC001521351978 1071196311 /nfs/dbraw/zinc/19/63/11/1071196311.db2.gz AEQLCUBZKLCMTM-UHFFFAOYSA-N 1 0 439.511 0.846 20 0 ICADRO O=C(C[NH+]1CCCC1)N1CCN(c2nnc(-c3ccc[nH]3)n2CCOCCCO)CC1 ZINC001521352443 1071196240 /nfs/dbraw/zinc/19/62/40/1071196240.db2.gz JHWSWLIVYSWBTJ-UHFFFAOYSA-N 1 0 431.541 0.417 20 0 ICADRO O=C(Nc1ccccn1)c1nnc(N2CCC(CO)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001521359966 1071197152 /nfs/dbraw/zinc/19/71/52/1071197152.db2.gz SDJNJHRNOAVJGN-GOSISDBHSA-N 1 0 443.552 0.981 20 0 ICADRO O=C(Nc1ccccn1)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001521359969 1071197193 /nfs/dbraw/zinc/19/71/93/1071197193.db2.gz SDJNJHRNOAVJGN-SFHVURJKSA-N 1 0 443.552 0.981 20 0 ICADRO C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001521370145 1071197186 /nfs/dbraw/zinc/19/71/86/1071197186.db2.gz TZDQEILKIVDYNF-HNNXBMFYSA-N 1 0 435.525 0.816 20 0 ICADRO C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001521370146 1071197208 /nfs/dbraw/zinc/19/72/08/1071197208.db2.gz TZDQEILKIVDYNF-OAHLLOKOSA-N 1 0 435.525 0.816 20 0 ICADRO O=C1CC[C@@H](c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCOCCCO)N1 ZINC001521439849 1071200423 /nfs/dbraw/zinc/20/04/23/1071200423.db2.gz LHGDQIIGBWVXOQ-MSOLQXFVSA-N 1 0 436.557 0.177 20 0 ICADRO O=C1CC[C@H](c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCOCCCO)N1 ZINC001521439850 1071200390 /nfs/dbraw/zinc/20/03/90/1071200390.db2.gz LHGDQIIGBWVXOQ-QZTJIDSGSA-N 1 0 436.557 0.177 20 0 ICADRO O=C1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CCN1 ZINC001521509189 1071205010 /nfs/dbraw/zinc/20/50/10/1071205010.db2.gz HCEMYCCNINSGLO-OAHLLOKOSA-N 1 0 434.491 0.930 20 0 ICADRO O=C1CN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2CCC(O)CC2)CCN1 ZINC001521514854 1071205610 /nfs/dbraw/zinc/20/56/10/1071205610.db2.gz DTRXSVFMAVSKOY-UHFFFAOYSA-N 1 0 428.537 0.683 20 0 ICADRO O=S1(=O)CC[C@@H](c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCOCCCO)C1 ZINC001521539419 1071208018 /nfs/dbraw/zinc/20/80/18/1071208018.db2.gz LBNWARYKILGIGB-MSOLQXFVSA-N 1 0 441.598 0.644 20 0 ICADRO O=S1(=O)CC[C@@H](c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCOCCCO)C1 ZINC001521539420 1071208306 /nfs/dbraw/zinc/20/83/06/1071208306.db2.gz LBNWARYKILGIGB-QZTJIDSGSA-N 1 0 441.598 0.644 20 0 ICADRO O=S1(=O)CC[C@H](c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCOCCCO)C1 ZINC001521539421 1071207952 /nfs/dbraw/zinc/20/79/52/1071207952.db2.gz LBNWARYKILGIGB-ROUUACIJSA-N 1 0 441.598 0.644 20 0 ICADRO O=S1(=O)CC[C@H](c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCOCCCO)C1 ZINC001521539422 1071208166 /nfs/dbraw/zinc/20/81/66/1071208166.db2.gz LBNWARYKILGIGB-ZWKOTPCHSA-N 1 0 441.598 0.644 20 0 ICADRO Cn1nc2c(c1C(=O)Nc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CS(=O)(=O)CC2 ZINC001521555744 1071208829 /nfs/dbraw/zinc/20/88/29/1071208829.db2.gz HIJIMVBNIKIMEE-UHFFFAOYSA-N 1 0 445.545 0.969 20 0 ICADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001521557346 1071209816 /nfs/dbraw/zinc/20/98/16/1071209816.db2.gz XYKSWGLRLZWHGB-INIZCTEOSA-N 1 0 427.465 0.464 20 0 ICADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001521557351 1071209623 /nfs/dbraw/zinc/20/96/23/1071209623.db2.gz XYKSWGLRLZWHGB-MRXNPFEDSA-N 1 0 427.465 0.464 20 0 ICADRO O=S1(=O)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001521560192 1071209687 /nfs/dbraw/zinc/20/96/87/1071209687.db2.gz BNUYYVPCVIUFCF-GOSISDBHSA-N 1 0 434.566 0.346 20 0 ICADRO O=S1(=O)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001521560195 1071209766 /nfs/dbraw/zinc/20/97/66/1071209766.db2.gz BNUYYVPCVIUFCF-SFHVURJKSA-N 1 0 434.566 0.346 20 0 ICADRO Cn1cnnc1COCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001521631522 1071211811 /nfs/dbraw/zinc/21/18/11/1071211811.db2.gz KKGWCJAIZPKQHN-UHFFFAOYSA-N 1 0 428.537 0.819 20 0 ICADRO O=C(CN1CCC(=O)NC1=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001521631910 1071211977 /nfs/dbraw/zinc/21/19/77/1071211977.db2.gz RQWKHMBGRJRFNH-UHFFFAOYSA-N 1 0 429.521 0.416 20 0 ICADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCCN2C(=O)NC(C)(C)C2=O)c1 ZINC001521778448 1071214861 /nfs/dbraw/zinc/21/48/61/1071214861.db2.gz LPVRNYZPMQTIMQ-UHFFFAOYSA-N 1 0 432.525 0.498 20 0 ICADRO CN1CCn2nc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2S1(=O)=O ZINC001522021269 1071218793 /nfs/dbraw/zinc/21/87/93/1071218793.db2.gz CTFZNUVJKKLBOG-KRWDZBQOSA-N 1 0 433.534 0.538 20 0 ICADRO CN1CCn2nc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2S1(=O)=O ZINC001522021271 1071218559 /nfs/dbraw/zinc/21/85/59/1071218559.db2.gz CTFZNUVJKKLBOG-QGZVFWFLSA-N 1 0 433.534 0.538 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001522023791 1071218769 /nfs/dbraw/zinc/21/87/69/1071218769.db2.gz LXCZNLDUBLGMQH-UHFFFAOYSA-N 1 0 425.415 0.464 20 0 ICADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1 ZINC001522058531 1071219412 /nfs/dbraw/zinc/21/94/12/1071219412.db2.gz REMPVUQWLSDAOV-GOSISDBHSA-N 1 0 441.492 0.739 20 0 ICADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1 ZINC001522058533 1071219375 /nfs/dbraw/zinc/21/93/75/1071219375.db2.gz REMPVUQWLSDAOV-SFHVURJKSA-N 1 0 441.492 0.739 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)ccc2F)CC1 ZINC001522272344 1071220688 /nfs/dbraw/zinc/22/06/88/1071220688.db2.gz FLIYNSFKSZBTLI-AEFFLSMTSA-N 1 0 438.525 0.455 20 0 ICADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1OC ZINC001522272706 1071220918 /nfs/dbraw/zinc/22/09/18/1071220918.db2.gz VLBBJONJLDRKMP-PBHICJAKSA-N 1 0 439.534 0.501 20 0 ICADRO COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC001522384012 1071222042 /nfs/dbraw/zinc/22/20/42/1071222042.db2.gz SVJRDPRCLQWMQX-GOSISDBHSA-N 1 0 446.548 0.687 20 0 ICADRO COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC001522384013 1071222196 /nfs/dbraw/zinc/22/21/96/1071222196.db2.gz SVJRDPRCLQWMQX-SFHVURJKSA-N 1 0 446.548 0.687 20 0 ICADRO C[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC[N@@H+]1C ZINC001523212085 1071228492 /nfs/dbraw/zinc/22/84/92/1071228492.db2.gz MTBQZCWFIHNJLH-DZKIICNBSA-N 1 0 429.564 0.821 20 0 ICADRO C[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC[N@@H+]1C ZINC001523212086 1071228620 /nfs/dbraw/zinc/22/86/20/1071228620.db2.gz MTBQZCWFIHNJLH-OFQRWUPVSA-N 1 0 429.564 0.821 20 0 ICADRO C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432082 1071231086 /nfs/dbraw/zinc/23/10/86/1071231086.db2.gz MIKSKYKYLQNUIL-DLBZAZTESA-N 1 0 425.574 0.596 20 0 ICADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432084 1071231793 /nfs/dbraw/zinc/23/17/93/1071231793.db2.gz MIKSKYKYLQNUIL-IAGOWNOFSA-N 1 0 425.574 0.596 20 0 ICADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432086 1071232132 /nfs/dbraw/zinc/23/21/32/1071232132.db2.gz MIKSKYKYLQNUIL-IRXDYDNUSA-N 1 0 425.574 0.596 20 0 ICADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432090 1071231828 /nfs/dbraw/zinc/23/18/28/1071231828.db2.gz MIKSKYKYLQNUIL-SJORKVTESA-N 1 0 425.574 0.596 20 0 ICADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001523432488 1071231959 /nfs/dbraw/zinc/23/19/59/1071231959.db2.gz VLTAIODBVLFMEP-INIZCTEOSA-N 1 0 431.599 0.665 20 0 ICADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001523432491 1071231907 /nfs/dbraw/zinc/23/19/07/1071231907.db2.gz VLTAIODBVLFMEP-MRXNPFEDSA-N 1 0 431.599 0.665 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CSCC(=O)Nc1cccc(C)c1 ZINC001524257561 1071239749 /nfs/dbraw/zinc/23/97/49/1071239749.db2.gz UXZNUINUXMKINN-UHFFFAOYSA-N 1 0 436.578 0.916 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC001524267953 1071239803 /nfs/dbraw/zinc/23/98/03/1071239803.db2.gz KXTFKZZLLSIGPH-NRFANRHFSA-N 1 0 430.549 0.916 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC001524267955 1071239897 /nfs/dbraw/zinc/23/98/97/1071239897.db2.gz KXTFKZZLLSIGPH-OAQYLSRUSA-N 1 0 430.549 0.916 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001524267972 1071239830 /nfs/dbraw/zinc/23/98/30/1071239830.db2.gz LGJQKCKGZFTZFC-UHFFFAOYSA-N 1 0 449.552 0.969 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001524268647 1071239769 /nfs/dbraw/zinc/23/97/69/1071239769.db2.gz NHKWUVMBTWWOOD-MSOLQXFVSA-N 1 0 441.569 0.762 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001524268649 1071239787 /nfs/dbraw/zinc/23/97/87/1071239787.db2.gz NHKWUVMBTWWOOD-QZTJIDSGSA-N 1 0 441.569 0.762 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001524268651 1071239940 /nfs/dbraw/zinc/23/99/40/1071239940.db2.gz NHKWUVMBTWWOOD-ROUUACIJSA-N 1 0 441.569 0.762 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001524268653 1071239742 /nfs/dbraw/zinc/23/97/42/1071239742.db2.gz NHKWUVMBTWWOOD-ZWKOTPCHSA-N 1 0 441.569 0.762 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C ZINC001524268747 1071239762 /nfs/dbraw/zinc/23/97/62/1071239762.db2.gz NRVIUJFGTKOOJH-UHFFFAOYSA-N 1 0 442.442 0.850 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccn2ncc(Br)c12 ZINC001524268869 1071240577 /nfs/dbraw/zinc/24/05/77/1071240577.db2.gz PVDHYHXTTXCNMA-UHFFFAOYSA-N 1 0 438.326 0.959 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC001524268911 1071240375 /nfs/dbraw/zinc/24/03/75/1071240375.db2.gz QGUBOFGHGLXGEX-FQEVSTJZSA-N 1 0 434.537 0.512 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC001524268914 1071240605 /nfs/dbraw/zinc/24/06/05/1071240605.db2.gz QGUBOFGHGLXGEX-HXUWFJFHSA-N 1 0 434.537 0.512 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001524269349 1071240460 /nfs/dbraw/zinc/24/04/60/1071240460.db2.gz RWBRVJSVDIPOSJ-UHFFFAOYSA-N 1 0 444.454 0.979 20 0 ICADRO CCCn1c2ccccc2n(CCC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1=O ZINC001524270024 1071240620 /nfs/dbraw/zinc/24/06/20/1071240620.db2.gz ZBYJAFWSVDEIRI-UHFFFAOYSA-N 1 0 445.564 0.852 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001524709078 1071246094 /nfs/dbraw/zinc/24/60/94/1071246094.db2.gz CREGCUGQMMEDGB-IBGZPJMESA-N 1 0 430.549 0.905 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001524709084 1071245899 /nfs/dbraw/zinc/24/58/99/1071245899.db2.gz CREGCUGQMMEDGB-LJQANCHMSA-N 1 0 430.549 0.905 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001524710319 1071246011 /nfs/dbraw/zinc/24/60/11/1071246011.db2.gz SBEAOABCECHNLG-IBGZPJMESA-N 1 0 440.548 0.757 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001524710320 1071245921 /nfs/dbraw/zinc/24/59/21/1071245921.db2.gz SBEAOABCECHNLG-LJQANCHMSA-N 1 0 440.548 0.757 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC001524710698 1071245941 /nfs/dbraw/zinc/24/59/41/1071245941.db2.gz YZURUBGPTJRQLO-UHFFFAOYSA-N 1 0 440.491 0.724 20 0 ICADRO COc1ccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1N1CCNC1=O ZINC001525426575 1071262062 /nfs/dbraw/zinc/26/20/62/1071262062.db2.gz ABBMNNVTHUBAAM-UHFFFAOYSA-N 1 0 431.537 0.751 20 0 ICADRO Cn1cc(I)c(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC001525426925 1071262673 /nfs/dbraw/zinc/26/26/73/1071262673.db2.gz IJSLRCHUIREGSD-UHFFFAOYSA-N 1 0 447.321 0.551 20 0 ICADRO COc1ccc(N2C[C@H](C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2=O)cc1 ZINC001525427098 1071262545 /nfs/dbraw/zinc/26/25/45/1071262545.db2.gz KOQZAZILEBINFS-GOSISDBHSA-N 1 0 430.549 0.961 20 0 ICADRO COc1ccc(N2C[C@@H](C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2=O)cc1 ZINC001525427099 1071262707 /nfs/dbraw/zinc/26/27/07/1071262707.db2.gz KOQZAZILEBINFS-SFHVURJKSA-N 1 0 430.549 0.961 20 0 ICADRO C[NH+]1CCC(CNC(=O)CCOc2ccc(S(C)(=O)=O)cc2)(N2CCOCC2)CC1 ZINC001525427190 1071262622 /nfs/dbraw/zinc/26/26/22/1071262622.db2.gz LNNMMNRLBWBVQI-UHFFFAOYSA-N 1 0 439.578 0.772 20 0 ICADRO C[NH+]1CCC(CNC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)(N2CCOCC2)CC1 ZINC001525427320 1071262446 /nfs/dbraw/zinc/26/24/46/1071262446.db2.gz NGGLSDKWTAVOQY-UHFFFAOYSA-N 1 0 428.533 0.974 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)(N2CCOCC2)CC1 ZINC001525427375 1071262565 /nfs/dbraw/zinc/26/25/65/1071262565.db2.gz NKOPRUJYLZUVEX-FQEVSTJZSA-N 1 0 443.592 0.915 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)(N2CCOCC2)CC1 ZINC001525427376 1071262422 /nfs/dbraw/zinc/26/24/22/1071262422.db2.gz NKOPRUJYLZUVEX-HXUWFJFHSA-N 1 0 443.592 0.915 20 0 ICADRO CNC(=O)COc1ccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1OC ZINC001525427599 1071262478 /nfs/dbraw/zinc/26/24/78/1071262478.db2.gz PUHIXACRBDTPAH-UHFFFAOYSA-N 1 0 434.537 0.346 20 0 ICADRO C[NH+]1CCC(CNC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)(N2CCOCC2)CC1 ZINC001525427882 1071262612 /nfs/dbraw/zinc/26/26/12/1071262612.db2.gz UMTUXCHYEIRZAG-SJORKVTESA-N 1 0 426.558 0.581 20 0 ICADRO C[NH+]1CCC(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)(N2CCOCC2)CC1 ZINC001525428262 1071262649 /nfs/dbraw/zinc/26/26/49/1071262649.db2.gz YTGLWHMKBCFPQT-UHFFFAOYSA-N 1 0 445.486 0.887 20 0 ICADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)C3(n4cnnn4)CCOCC3)cc2)CC1 ZINC001525482593 1071263270 /nfs/dbraw/zinc/26/32/70/1071263270.db2.gz NLOJBXRZSMKBQK-UHFFFAOYSA-N 1 0 427.509 0.193 20 0 ICADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC001525482686 1071263240 /nfs/dbraw/zinc/26/32/40/1071263240.db2.gz QKCPNUBCULDLNJ-BGYRXZFFSA-N 1 0 438.528 0.951 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001525592870 1071264677 /nfs/dbraw/zinc/26/46/77/1071264677.db2.gz AGALFUVKGPLBCC-OALUTQOASA-N 1 0 436.578 0.289 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001525592871 1071264535 /nfs/dbraw/zinc/26/45/35/1071264535.db2.gz AGALFUVKGPLBCC-RBUKOAKNSA-N 1 0 436.578 0.289 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001525593063 1071264605 /nfs/dbraw/zinc/26/46/05/1071264605.db2.gz HGARHORUMHRGMM-MOPGFXCFSA-N 1 0 433.574 0.833 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001525593065 1071264451 /nfs/dbraw/zinc/26/44/51/1071264451.db2.gz HGARHORUMHRGMM-OALUTQOASA-N 1 0 433.574 0.833 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001525593067 1071264665 /nfs/dbraw/zinc/26/46/65/1071264665.db2.gz HGARHORUMHRGMM-RBUKOAKNSA-N 1 0 433.574 0.833 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001525593069 1071264592 /nfs/dbraw/zinc/26/45/92/1071264592.db2.gz HGARHORUMHRGMM-RTBURBONSA-N 1 0 433.574 0.833 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001525593488 1071264632 /nfs/dbraw/zinc/26/46/32/1071264632.db2.gz KPCAHHMWVQEEQT-PMACEKPBSA-N 1 0 444.576 0.891 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001525593489 1071264466 /nfs/dbraw/zinc/26/44/66/1071264466.db2.gz KPCAHHMWVQEEQT-UXHICEINSA-N 1 0 444.576 0.891 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001525593490 1071264429 /nfs/dbraw/zinc/26/44/29/1071264429.db2.gz KPCAHHMWVQEEQT-VQTJNVASSA-N 1 0 444.576 0.891 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001525593493 1071264524 /nfs/dbraw/zinc/26/45/24/1071264524.db2.gz KPCAHHMWVQEEQT-WOJBJXKFSA-N 1 0 444.576 0.891 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001525594037 1071265250 /nfs/dbraw/zinc/26/52/50/1071265250.db2.gz OYUMQUJFIHSCPY-NRFANRHFSA-N 1 0 433.516 0.836 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001525594059 1071265238 /nfs/dbraw/zinc/26/52/38/1071265238.db2.gz OYUMQUJFIHSCPY-OAQYLSRUSA-N 1 0 433.516 0.836 20 0 ICADRO CCC1(CC)NC(=O)N(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001525594588 1071265200 /nfs/dbraw/zinc/26/52/00/1071265200.db2.gz UBWROUZCOCHLMO-GOSISDBHSA-N 1 0 443.548 0.728 20 0 ICADRO CCC1(CC)NC(=O)N(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001525594591 1071265166 /nfs/dbraw/zinc/26/51/66/1071265166.db2.gz UBWROUZCOCHLMO-SFHVURJKSA-N 1 0 443.548 0.728 20 0 ICADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 ZINC001525661417 1071266447 /nfs/dbraw/zinc/26/64/47/1071266447.db2.gz IZVGYWFESMVXTH-UHFFFAOYSA-N 1 0 429.569 0.910 20 0 ICADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC001525661767 1071266552 /nfs/dbraw/zinc/26/65/52/1071266552.db2.gz YJLNGHQJTQEHCN-UHFFFAOYSA-N 1 0 441.598 0.192 20 0 ICADRO Cn1cc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)CC2=O)cn1 ZINC001526015045 1071274073 /nfs/dbraw/zinc/27/40/73/1071274073.db2.gz CHAAWXJKELVQAJ-HKUYNNGSSA-N 1 0 426.521 0.178 20 0 ICADRO Cn1cc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)CC2=O)cn1 ZINC001526015046 1071274189 /nfs/dbraw/zinc/27/41/89/1071274189.db2.gz CHAAWXJKELVQAJ-MJGOQNOKSA-N 1 0 426.521 0.178 20 0 ICADRO Cn1cc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)CCC2=O)cn1 ZINC001526015196 1071274211 /nfs/dbraw/zinc/27/42/11/1071274211.db2.gz IBFUDCOBERBSHQ-ICSRJNTNSA-N 1 0 440.548 0.568 20 0 ICADRO Cn1cc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)CCC2=O)cn1 ZINC001526015197 1071274157 /nfs/dbraw/zinc/27/41/57/1071274157.db2.gz IBFUDCOBERBSHQ-QUCCMNQESA-N 1 0 440.548 0.568 20 0 ICADRO COCCN1C[C@@H](C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CC1=O ZINC001526117932 1071275563 /nfs/dbraw/zinc/27/55/63/1071275563.db2.gz KSFTXHAFDANFFN-FQEVSTJZSA-N 1 0 444.576 0.969 20 0 ICADRO COCCN1C[C@H](C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CC1=O ZINC001526117939 1071275695 /nfs/dbraw/zinc/27/56/95/1071275695.db2.gz KSFTXHAFDANFFN-HXUWFJFHSA-N 1 0 444.576 0.969 20 0 ICADRO CC1(C)NC(=O)N(CC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)C1=O ZINC001526118134 1071275490 /nfs/dbraw/zinc/27/54/90/1071275490.db2.gz MMUIEPQGKONJPE-UHFFFAOYSA-N 1 0 443.548 0.804 20 0 ICADRO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001526286736 1071277528 /nfs/dbraw/zinc/27/75/28/1071277528.db2.gz BYLMSOYJQFKUSX-APWZRJJASA-N 1 0 436.578 0.798 20 0 ICADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC001526316754 1071278253 /nfs/dbraw/zinc/27/82/53/1071278253.db2.gz PSUASDRBQNQVJO-FQEVSTJZSA-N 1 0 441.550 0.909 20 0 ICADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC001526316761 1071278168 /nfs/dbraw/zinc/27/81/68/1071278168.db2.gz PSUASDRBQNQVJO-HXUWFJFHSA-N 1 0 441.550 0.909 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)[C@H]1c1nccn1C ZINC001526346317 1071278885 /nfs/dbraw/zinc/27/88/85/1071278885.db2.gz KTNXWOYXHNZFSJ-SFTDATJTSA-N 1 0 446.596 0.726 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001527057282 1071292508 /nfs/dbraw/zinc/29/25/08/1071292508.db2.gz DYRSMWZBNDJYCQ-AQNXPRMDSA-N 1 0 440.544 0.793 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001527057283 1071292430 /nfs/dbraw/zinc/29/24/30/1071292430.db2.gz DYRSMWZBNDJYCQ-HSALFYBXSA-N 1 0 440.544 0.793 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001527057284 1071292437 /nfs/dbraw/zinc/29/24/37/1071292437.db2.gz DYRSMWZBNDJYCQ-UFYCRDLUSA-N 1 0 440.544 0.793 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001527057285 1071292503 /nfs/dbraw/zinc/29/25/03/1071292503.db2.gz DYRSMWZBNDJYCQ-ZCNNSNEGSA-N 1 0 440.544 0.793 20 0 ICADRO O=C(CN1CCCCS1(=O)=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001527058430 1071292490 /nfs/dbraw/zinc/29/24/90/1071292490.db2.gz JEYCDHJKKYVGBQ-IBGZPJMESA-N 1 0 435.594 0.868 20 0 ICADRO O=C(CN1CCCCS1(=O)=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001527058435 1071292461 /nfs/dbraw/zinc/29/24/61/1071292461.db2.gz JEYCDHJKKYVGBQ-LJQANCHMSA-N 1 0 435.594 0.868 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001527062522 1071292450 /nfs/dbraw/zinc/29/24/50/1071292450.db2.gz DMKJCUXFZZYLBU-GOSISDBHSA-N 1 0 426.521 0.012 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001527062523 1071292506 /nfs/dbraw/zinc/29/25/06/1071292506.db2.gz DMKJCUXFZZYLBU-SFHVURJKSA-N 1 0 426.521 0.012 20 0 ICADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nnnc1-c1ccccc1 ZINC001527064059 1071292441 /nfs/dbraw/zinc/29/24/41/1071292441.db2.gz UPICWDPGGOGEAT-FQEVSTJZSA-N 1 0 433.516 0.971 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nnnc1-c1ccccc1 ZINC001527064060 1071292500 /nfs/dbraw/zinc/29/25/00/1071292500.db2.gz UPICWDPGGOGEAT-HXUWFJFHSA-N 1 0 433.516 0.971 20 0 ICADRO COC(=O)c1cccn(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC[NH+](C)C)c1=O ZINC001527064117 1071292513 /nfs/dbraw/zinc/29/25/13/1071292513.db2.gz VJUNRJXQIPWYCS-IBGZPJMESA-N 1 0 440.500 0.266 20 0 ICADRO COC(=O)c1cccn(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[NH+](C)C)c1=O ZINC001527064118 1071292469 /nfs/dbraw/zinc/29/24/69/1071292469.db2.gz VJUNRJXQIPWYCS-LJQANCHMSA-N 1 0 440.500 0.266 20 0 ICADRO Cn1nc(I)cc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001527091712 1071293136 /nfs/dbraw/zinc/29/31/36/1071293136.db2.gz CPFRTBAHKIIREI-UHFFFAOYSA-N 1 0 433.294 0.747 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)[C@H]1c1ccnn1C ZINC001527415645 1071298504 /nfs/dbraw/zinc/29/85/04/1071298504.db2.gz ODLFDOUQCYBTEC-VLNCIODFSA-N 1 0 433.553 0.809 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)COc2cccc(I)c2)CC1=O ZINC001527480421 1071299188 /nfs/dbraw/zinc/29/91/88/1071299188.db2.gz CLOZTVLOMQGSSW-UHFFFAOYSA-N 1 0 431.274 0.902 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1=O ZINC001527480482 1071299394 /nfs/dbraw/zinc/29/93/94/1071299394.db2.gz FTHVUPJJPNZCPK-IBGZPJMESA-N 1 0 430.549 0.927 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1=O ZINC001527480483 1071299305 /nfs/dbraw/zinc/29/93/05/1071299305.db2.gz FTHVUPJJPNZCPK-LJQANCHMSA-N 1 0 430.549 0.927 20 0 ICADRO COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)n2)cc1 ZINC001527480562 1071299329 /nfs/dbraw/zinc/29/93/29/1071299329.db2.gz IPPNJWOGXGQZQE-UHFFFAOYSA-N 1 0 430.509 0.447 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1=O ZINC001527480576 1071299361 /nfs/dbraw/zinc/29/93/61/1071299361.db2.gz JEZFLLFCMUEJEU-UHFFFAOYSA-N 1 0 442.969 0.971 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC001527480623 1071299341 /nfs/dbraw/zinc/29/93/41/1071299341.db2.gz KLZKSEIBRQULRK-UHFFFAOYSA-N 1 0 438.594 0.882 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1=O ZINC001527480713 1071299275 /nfs/dbraw/zinc/29/92/75/1071299275.db2.gz OCAKZZLJYIGDPZ-UHFFFAOYSA-N 1 0 439.534 0.244 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1=O ZINC001527480836 1071299413 /nfs/dbraw/zinc/29/94/13/1071299413.db2.gz RDIVRXBBMSWHFF-UHFFFAOYSA-N 1 0 432.340 0.699 20 0 ICADRO CN(CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(=O)c1ccc(Br)s1 ZINC001527480910 1071299371 /nfs/dbraw/zinc/29/93/71/1071299371.db2.gz SJJQGUIORCZQPX-UHFFFAOYSA-N 1 0 431.356 0.815 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1=O ZINC001527480959 1071299217 /nfs/dbraw/zinc/29/92/17/1071299217.db2.gz TYANYSYARXNRTB-UHFFFAOYSA-N 1 0 436.310 0.391 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1=O ZINC001527481052 1071300122 /nfs/dbraw/zinc/30/01/22/1071300122.db2.gz XDAFCJBEMAAWET-UHFFFAOYSA-N 1 0 425.287 0.528 20 0 ICADRO Cn1cc(I)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC001527498457 1071299927 /nfs/dbraw/zinc/29/99/27/1071299927.db2.gz SFCBPGLBDUJHEN-UHFFFAOYSA-N 1 0 433.294 0.747 20 0 ICADRO NC(=O)Cn1cc(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)nn1 ZINC001527660335 1071300554 /nfs/dbraw/zinc/30/05/54/1071300554.db2.gz KXHPZTOFYNYDCJ-UHFFFAOYSA-N 1 0 431.928 0.844 20 0 ICADRO Cc1ccc(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1NC(=O)CC[NH+](C)C ZINC001528118037 1071308543 /nfs/dbraw/zinc/30/85/43/1071308543.db2.gz PULWUNKWLPZHFP-UHFFFAOYSA-N 1 0 434.522 0.968 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC001528265951 1071312092 /nfs/dbraw/zinc/31/20/92/1071312092.db2.gz MGLUVHOICDCGTK-UHFFFAOYSA-N 1 0 441.326 0.653 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001528267115 1071311835 /nfs/dbraw/zinc/31/18/35/1071311835.db2.gz WHGOKQXUYCRQJR-UHFFFAOYSA-N 1 0 427.303 0.774 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001528267703 1071311948 /nfs/dbraw/zinc/31/19/48/1071311948.db2.gz ZSYZZTJEOMIXRH-INIZCTEOSA-N 1 0 442.557 0.705 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001528267707 1071311778 /nfs/dbraw/zinc/31/17/78/1071311778.db2.gz ZSYZZTJEOMIXRH-MRXNPFEDSA-N 1 0 442.557 0.705 20 0 ICADRO C[NH+]1CCC(CNC(=O)Cn2cnc(-c3ccccc3)cc2=O)(N2CCOCC2)CC1 ZINC001528548552 1071316002 /nfs/dbraw/zinc/31/60/02/1071316002.db2.gz CDZLLHOWSWMKCH-UHFFFAOYSA-N 1 0 425.533 0.823 20 0 ICADRO C[NH+]1CCC(CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)(N2CCOCC2)CC1 ZINC001528549680 1071316066 /nfs/dbraw/zinc/31/60/66/1071316066.db2.gz FTNGKNRQRXJWOQ-IBGZPJMESA-N 1 0 428.537 0.019 20 0 ICADRO C[NH+]1CCC(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)(N2CCOCC2)CC1 ZINC001528549686 1071315872 /nfs/dbraw/zinc/31/58/72/1071315872.db2.gz FTNGKNRQRXJWOQ-LJQANCHMSA-N 1 0 428.537 0.019 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2nc3ncc(Br)cn3n2)(N2CCOCC2)CC1 ZINC001528549719 1071316046 /nfs/dbraw/zinc/31/60/46/1071316046.db2.gz GCZJDBRSCQNBAE-UHFFFAOYSA-N 1 0 438.330 0.413 20 0 ICADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001528550498 1071316485 /nfs/dbraw/zinc/31/64/85/1071316485.db2.gz JULCYANCNFHSEE-GOSISDBHSA-N 1 0 430.615 0.494 20 0 ICADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001528550499 1071316649 /nfs/dbraw/zinc/31/66/49/1071316649.db2.gz JULCYANCNFHSEE-SFHVURJKSA-N 1 0 430.615 0.494 20 0 ICADRO CC(C)NS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC001528551996 1071316719 /nfs/dbraw/zinc/31/67/19/1071316719.db2.gz PSQWYJZUHFJQAN-UHFFFAOYSA-N 1 0 438.594 0.900 20 0 ICADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001528553166 1071316664 /nfs/dbraw/zinc/31/66/64/1071316664.db2.gz VXUIVDMYDIMPGS-GOSISDBHSA-N 1 0 430.615 0.494 20 0 ICADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001528553167 1071316464 /nfs/dbraw/zinc/31/64/64/1071316464.db2.gz VXUIVDMYDIMPGS-SFHVURJKSA-N 1 0 430.615 0.494 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)(N2CCOCC2)CC1 ZINC001528553177 1071316533 /nfs/dbraw/zinc/31/65/33/1071316533.db2.gz VZVAWRZJWGWJAI-UHFFFAOYSA-N 1 0 444.623 0.366 20 0 ICADRO C[C@H](Sc1nc(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cs1)C(N)=O ZINC001528553291 1071316780 /nfs/dbraw/zinc/31/67/80/1071316780.db2.gz WHFRMIWICBNKGZ-AWEZNQCLSA-N 1 0 441.623 0.564 20 0 ICADRO C[C@@H](Sc1nc(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cs1)C(N)=O ZINC001528553292 1071316676 /nfs/dbraw/zinc/31/66/76/1071316676.db2.gz WHFRMIWICBNKGZ-CQSZACIVSA-N 1 0 441.623 0.564 20 0 ICADRO Cc1c(Br)cc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c(=O)n1C 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/nfs/dbraw/zinc/32/08/45/1071320845.db2.gz DKOGTWWANWLYJO-ZHALLVOQSA-N 1 0 428.493 0.653 20 0 ICADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001528914524 1071321034 /nfs/dbraw/zinc/32/10/34/1071321034.db2.gz DKOGTWWANWLYJO-ZIFCJYIRSA-N 1 0 428.493 0.653 20 0 ICADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1F ZINC001528945148 1071321474 /nfs/dbraw/zinc/32/14/74/1071321474.db2.gz DHYSSFHMQAGSIP-UHFFFAOYSA-N 1 0 442.557 0.602 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)(N2CCOCC2)CC1 ZINC001528945441 1071322116 /nfs/dbraw/zinc/32/21/16/1071322116.db2.gz FJNSZQYUHQYIFZ-UHFFFAOYSA-N 1 0 429.521 0.265 20 0 ICADRO CC(C)NS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC001528947783 1071322010 /nfs/dbraw/zinc/32/20/10/1071322010.db2.gz NSLOLIJYIWGGRR-UHFFFAOYSA-N 1 0 438.594 0.900 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)(N2CCOCC2)CC1 ZINC001528950120 1071322083 /nfs/dbraw/zinc/32/20/83/1071322083.db2.gz SSCCZXGYTHJERO-UHFFFAOYSA-N 1 0 429.496 0.898 20 0 ICADRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001528950708 1071322166 /nfs/dbraw/zinc/32/21/66/1071322166.db2.gz VZTYSPMGRZVNCO-FQEVSTJZSA-N 1 0 445.543 0.817 20 0 ICADRO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001528950709 1071322023 /nfs/dbraw/zinc/32/20/23/1071322023.db2.gz VZTYSPMGRZVNCO-HXUWFJFHSA-N 1 0 445.543 0.817 20 0 ICADRO C[NH+]1CCC(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)(N2CCOCC2)CC1 ZINC001528950916 1071322037 /nfs/dbraw/zinc/32/20/37/1071322037.db2.gz WVHXAURDYTWUDE-JOCHJYFZSA-N 1 0 443.548 0.366 20 0 ICADRO C[NH+]1CCC(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)(N2CCOCC2)CC1 ZINC001528950917 1071322275 /nfs/dbraw/zinc/32/22/75/1071322275.db2.gz WVHXAURDYTWUDE-QFIPXVFZSA-N 1 0 443.548 0.366 20 0 ICADRO C[NH+]1CCC(CNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)(N2CCOCC2)CC1 ZINC001528951120 1071322050 /nfs/dbraw/zinc/32/20/50/1071322050.db2.gz YPJQVSHRTPXEQL-IBGZPJMESA-N 1 0 428.533 0.418 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C[NH+](C)CCN1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1=O ZINC001531294642 1071358238 /nfs/dbraw/zinc/35/82/38/1071358238.db2.gz RMPVOWDBUCEIKD-UHFFFAOYSA-N 1 0 447.561 0.080 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1=O ZINC001531294976 1071358357 /nfs/dbraw/zinc/35/83/57/1071358357.db2.gz YSYPCNHTZCVRBJ-UHFFFAOYSA-N 1 0 442.969 0.971 20 0 ICADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2)C1 ZINC001531295004 1071358108 /nfs/dbraw/zinc/35/81/08/1071358108.db2.gz ZTPDLGDTNZJEEG-KRWDZBQOSA-N 1 0 436.578 0.953 20 0 ICADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2)C1 ZINC001531295005 1071358431 /nfs/dbraw/zinc/35/84/31/1071358431.db2.gz ZTPDLGDTNZJEEG-QGZVFWFLSA-N 1 0 436.578 0.953 20 0 ICADRO C[NH+]1CCC(OCC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC001531321370 1071359254 /nfs/dbraw/zinc/35/92/54/1071359254.db2.gz PUZNVJZKCJGBPV-HNNXBMFYSA-N 1 0 445.563 0.201 20 0 ICADRO C[NH+]1CCC(OCC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC001531321373 1071359193 /nfs/dbraw/zinc/35/91/93/1071359193.db2.gz PUZNVJZKCJGBPV-OAHLLOKOSA-N 1 0 445.563 0.201 20 0 ICADRO CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)nn1 ZINC001531373453 1071360544 /nfs/dbraw/zinc/36/05/44/1071360544.db2.gz NCIRTPFPPQRRSD-UHFFFAOYSA-N 1 0 429.525 0.635 20 0 ICADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC001531502029 1071362006 /nfs/dbraw/zinc/36/20/06/1071362006.db2.gz LAYCTZIQOQMVRE-UHFFFAOYSA-N 1 0 434.522 0.528 20 0 ICADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001531502845 1071361834 /nfs/dbraw/zinc/36/18/34/1071361834.db2.gz SJUZLVRXAJVDGR-UHFFFAOYSA-N 1 0 429.539 0.731 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C2)s1 ZINC001531672069 1071367989 /nfs/dbraw/zinc/36/79/89/1071367989.db2.gz JNLXIQDPEQRQSV-INIZCTEOSA-N 1 0 444.623 0.936 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C2)s1 ZINC001531672071 1071368157 /nfs/dbraw/zinc/36/81/57/1071368157.db2.gz JNLXIQDPEQRQSV-MRXNPFEDSA-N 1 0 444.623 0.936 20 0 ICADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1=O ZINC001531672545 1071368434 /nfs/dbraw/zinc/36/84/34/1071368434.db2.gz SDCLHXUCYZPYOY-JOCHJYFZSA-N 1 0 447.536 0.249 20 0 ICADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1=O ZINC001531672546 1071368601 /nfs/dbraw/zinc/36/86/01/1071368601.db2.gz SDCLHXUCYZPYOY-QFIPXVFZSA-N 1 0 447.536 0.249 20 0 ICADRO Cc1nn(CC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(=O)n1C ZINC001531775612 1071369377 /nfs/dbraw/zinc/36/93/77/1071369377.db2.gz QUPJSWQKEXNTEJ-UHFFFAOYSA-N 1 0 426.443 0.977 20 0 ICADRO C[C@@H](Sc1nc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cs1)C(N)=O ZINC001532029706 1071374570 /nfs/dbraw/zinc/37/45/70/1071374570.db2.gz LPAJKQGUWOXJDU-IKKMQULASA-N 1 0 439.607 0.851 20 0 ICADRO C[C@H](Sc1nc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cs1)C(N)=O ZINC001532029707 1071374426 /nfs/dbraw/zinc/37/44/26/1071374426.db2.gz LPAJKQGUWOXJDU-YPRXJGMQSA-N 1 0 439.607 0.851 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001532054054 1071375637 /nfs/dbraw/zinc/37/56/37/1071375637.db2.gz AKZXXDFZEUEUNK-UHFFFAOYSA-N 1 0 428.530 0.702 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001532055136 1071375433 /nfs/dbraw/zinc/37/54/33/1071375433.db2.gz OXXPPLSBKHCRRK-UHFFFAOYSA-N 1 0 438.594 0.882 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001532055315 1071375545 /nfs/dbraw/zinc/37/55/45/1071375545.db2.gz QOXAUXSUVHBOKH-INIZCTEOSA-N 1 0 430.505 0.554 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001532055318 1071375574 /nfs/dbraw/zinc/37/55/74/1071375574.db2.gz QOXAUXSUVHBOKH-MRXNPFEDSA-N 1 0 430.505 0.554 20 0 ICADRO 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COCCn1cc(N2C[C@@H](C(=O)N3CC4(CCCC4)OC[C@H]3C[NH+](C)C)CC2=O)cn1 ZINC001532413876 1071382864 /nfs/dbraw/zinc/38/28/64/1071382864.db2.gz OUAMEHGWLLWQTC-PKOBYXMFSA-N 1 0 433.553 0.984 20 0 ICADRO COCCn1cc(N2C[C@@H](C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2=O)cn1 ZINC001532524560 1071384896 /nfs/dbraw/zinc/38/48/96/1071384896.db2.gz XQWJIFGCUBGPJW-INIZCTEOSA-N 1 0 428.493 0.682 20 0 ICADRO COCCn1cc(N2C[C@H](C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2=O)cn1 ZINC001532524561 1071384781 /nfs/dbraw/zinc/38/47/81/1071384781.db2.gz XQWJIFGCUBGPJW-MRXNPFEDSA-N 1 0 428.493 0.682 20 0 ICADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn(CC(N)=O)nn1 ZINC001532883787 1071389566 /nfs/dbraw/zinc/38/95/66/1071389566.db2.gz QFBMXTZBQCCWDC-LLVKDONJSA-N 1 0 436.314 0.919 20 0 ICADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn(CC(N)=O)nn1 ZINC001532883788 1071389768 /nfs/dbraw/zinc/38/97/68/1071389768.db2.gz QFBMXTZBQCCWDC-NSHDSACASA-N 1 0 436.314 0.919 20 0 ICADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001533065313 1071392468 /nfs/dbraw/zinc/39/24/68/1071392468.db2.gz SDQCNRBTGYVIJL-UHFFFAOYSA-N 1 0 448.549 0.920 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298162 1071394795 /nfs/dbraw/zinc/39/47/95/1071394795.db2.gz NHCCEXKPNZBOPH-AOMKIAJQSA-N 1 0 433.505 0.616 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298166 1071394843 /nfs/dbraw/zinc/39/48/43/1071394843.db2.gz NHCCEXKPNZBOPH-KSFYIVLOSA-N 1 0 433.505 0.616 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298168 1071394766 /nfs/dbraw/zinc/39/47/66/1071394766.db2.gz NHCCEXKPNZBOPH-OPAMFIHVSA-N 1 0 433.505 0.616 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298170 1071394560 /nfs/dbraw/zinc/39/45/60/1071394560.db2.gz NHCCEXKPNZBOPH-ZHRRBRCNSA-N 1 0 433.505 0.616 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001533307119 1071395459 /nfs/dbraw/zinc/39/54/59/1071395459.db2.gz ANJUDLIXGXTVCX-NRFANRHFSA-N 1 0 439.578 0.336 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001533307121 1071395418 /nfs/dbraw/zinc/39/54/18/1071395418.db2.gz ANJUDLIXGXTVCX-OAQYLSRUSA-N 1 0 439.578 0.336 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC001533307249 1071395580 /nfs/dbraw/zinc/39/55/80/1071395580.db2.gz BUEGDIPSORSDAG-DHIUTWEWSA-N 1 0 444.532 0.791 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC001533307251 1071395303 /nfs/dbraw/zinc/39/53/03/1071395303.db2.gz BUEGDIPSORSDAG-GOTSBHOMSA-N 1 0 444.532 0.791 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC001533307253 1071395674 /nfs/dbraw/zinc/39/56/74/1071395674.db2.gz BUEGDIPSORSDAG-PKTZIBPZSA-N 1 0 444.532 0.791 20 0 ICADRO 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429.521 0.338 20 0 ICADRO CC[C@]1(C)NC(=O)N(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001534010428 1071411356 /nfs/dbraw/zinc/41/13/56/1071411356.db2.gz RZUHYUAHTPNTRZ-VGSWGCGISA-N 1 0 429.521 0.338 20 0 ICADRO COC(=O)[C@@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001534010843 1071411320 /nfs/dbraw/zinc/41/13/20/1071411320.db2.gz VDVCECJDSBQWNY-MOPGFXCFSA-N 1 0 444.532 0.029 20 0 ICADRO COC(=O)[C@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001534010846 1071411417 /nfs/dbraw/zinc/41/14/17/1071411417.db2.gz VDVCECJDSBQWNY-OALUTQOASA-N 1 0 444.532 0.029 20 0 ICADRO COC(=O)[C@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001534010848 1071411398 /nfs/dbraw/zinc/41/13/98/1071411398.db2.gz VDVCECJDSBQWNY-RBUKOAKNSA-N 1 0 444.532 0.029 20 0 ICADRO COC(=O)[C@@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[NH+](C)C)C1=O ZINC001534010850 1071411350 /nfs/dbraw/zinc/41/13/50/1071411350.db2.gz VDVCECJDSBQWNY-RTBURBONSA-N 1 0 444.532 0.029 20 0 ICADRO 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YMCIKALOFCNYCY-UHFFFAOYSA-N 1 0 427.527 0.969 20 0 ICADRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001535034015 1071443447 /nfs/dbraw/zinc/44/34/47/1071443447.db2.gz DZSPVXDBZUPHML-KRWDZBQOSA-N 1 0 426.558 0.881 20 0 ICADRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001535034017 1071443580 /nfs/dbraw/zinc/44/35/80/1071443580.db2.gz DZSPVXDBZUPHML-QGZVFWFLSA-N 1 0 426.558 0.881 20 0 ICADRO COC(=O)CCNC(=O)CCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC001535074832 1071445034 /nfs/dbraw/zinc/44/50/34/1071445034.db2.gz RBKUAPJETYHBAI-UHFFFAOYSA-N 1 0 428.493 0.363 20 0 ICADRO COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001535117493 1071446312 /nfs/dbraw/zinc/44/63/12/1071446312.db2.gz NTFSFFDJLFBAFD-KRWDZBQOSA-N 1 0 426.535 0.748 20 0 ICADRO COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001535117496 1071446279 /nfs/dbraw/zinc/44/62/79/1071446279.db2.gz NTFSFFDJLFBAFD-QGZVFWFLSA-N 1 0 426.535 0.748 20 0 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COC(=O)c1cccn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1=O ZINC001537719571 1071510601 /nfs/dbraw/zinc/51/06/01/1071510601.db2.gz KJWZWTHQUPXWRQ-GOSISDBHSA-N 1 0 440.500 0.649 20 0 ICADRO COC(=O)c1cccn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1=O ZINC001537719572 1071510557 /nfs/dbraw/zinc/51/05/57/1071510557.db2.gz KJWZWTHQUPXWRQ-SFHVURJKSA-N 1 0 440.500 0.649 20 0 ICADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001537744239 1071510641 /nfs/dbraw/zinc/51/06/41/1071510641.db2.gz PSQZBNTVFTWWPJ-IYBDPMFKSA-N 1 0 447.540 0.452 20 0 ICADRO C[C@@]1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001537895030 1071515698 /nfs/dbraw/zinc/51/56/98/1071515698.db2.gz KTCSYHVRSRRNJH-DYESRHJHSA-N 1 0 432.546 0.933 20 0 ICADRO C[C@@]1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001537895031 1071515991 /nfs/dbraw/zinc/51/59/91/1071515991.db2.gz KTCSYHVRSRRNJH-LAUBAEHRSA-N 1 0 432.546 0.933 20 0 ICADRO C[C@]1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001537895032 1071515877 /nfs/dbraw/zinc/51/58/77/1071515877.db2.gz KTCSYHVRSRRNJH-UTKZUKDTSA-N 1 0 432.546 0.933 20 0 ICADRO C[C@]1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001537895033 1071515586 /nfs/dbraw/zinc/51/55/86/1071515586.db2.gz KTCSYHVRSRRNJH-UWJYYQICSA-N 1 0 432.546 0.933 20 0 ICADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@H](c2cnn(C)c2)C1 ZINC001537928259 1071516913 /nfs/dbraw/zinc/51/69/13/1071516913.db2.gz NIOYOCGDNPFVNC-CVEARBPZSA-N 1 0 433.600 0.408 20 0 ICADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@H](c2cnn(C)c2)C1 ZINC001537928260 1071517134 /nfs/dbraw/zinc/51/71/34/1071517134.db2.gz NIOYOCGDNPFVNC-HOTGVXAUSA-N 1 0 433.600 0.408 20 0 ICADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@@H](c2cnn(C)c2)C1 ZINC001537928261 1071516943 /nfs/dbraw/zinc/51/69/43/1071516943.db2.gz NIOYOCGDNPFVNC-HZPDHXFCSA-N 1 0 433.600 0.408 20 0 ICADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@@H](c2cnn(C)c2)C1 ZINC001537928262 1071517772 /nfs/dbraw/zinc/51/77/72/1071517772.db2.gz NIOYOCGDNPFVNC-JKSUJKDBSA-N 1 0 433.600 0.408 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)cn1C ZINC001537947217 1071518267 /nfs/dbraw/zinc/51/82/67/1071518267.db2.gz APTVWDGKEKTFMC-DLBZAZTESA-N 1 0 441.623 0.825 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)cn1C ZINC001537947218 1071518386 /nfs/dbraw/zinc/51/83/86/1071518386.db2.gz APTVWDGKEKTFMC-IAGOWNOFSA-N 1 0 441.623 0.825 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)cn1C ZINC001537947219 1071518175 /nfs/dbraw/zinc/51/81/75/1071518175.db2.gz APTVWDGKEKTFMC-IRXDYDNUSA-N 1 0 441.623 0.825 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)cn1C ZINC001537947220 1071518460 /nfs/dbraw/zinc/51/84/60/1071518460.db2.gz APTVWDGKEKTFMC-SJORKVTESA-N 1 0 441.623 0.825 20 0 ICADRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)Cn2ncnn2)CC1 ZINC001537950331 1071518238 /nfs/dbraw/zinc/51/82/38/1071518238.db2.gz YEELLHWBGPJZIT-UHFFFAOYSA-N 1 0 440.321 0.851 20 0 ICADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001538036563 1071521378 /nfs/dbraw/zinc/52/13/78/1071521378.db2.gz VNZSTMGSUNDRCQ-HDICACEKSA-N 1 0 436.553 0.920 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1=O ZINC001538088726 1071523139 /nfs/dbraw/zinc/52/31/39/1071523139.db2.gz FCCQCWGURDGKMF-UHFFFAOYSA-N 1 0 437.294 0.278 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1=O ZINC001538089194 1071523366 /nfs/dbraw/zinc/52/33/66/1071523366.db2.gz OIWUXYLHJPBCBI-INIZCTEOSA-N 1 0 428.489 0.308 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1=O ZINC001538089195 1071523164 /nfs/dbraw/zinc/52/31/64/1071523164.db2.gz OIWUXYLHJPBCBI-MRXNPFEDSA-N 1 0 428.489 0.308 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2)cc1 ZINC001538089817 1071523347 /nfs/dbraw/zinc/52/33/47/1071523347.db2.gz WPTWPZBFPHXJPJ-GOSISDBHSA-N 1 0 436.578 0.628 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2)cc1 ZINC001538089819 1071523291 /nfs/dbraw/zinc/52/32/91/1071523291.db2.gz WPTWPZBFPHXJPJ-SFHVURJKSA-N 1 0 436.578 0.628 20 0 ICADRO C[NH+]1CCC(OCC(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC001538133671 1071524546 /nfs/dbraw/zinc/52/45/46/1071524546.db2.gz KTSJFQRIOHJGCJ-UHFFFAOYSA-N 1 0 439.534 0.420 20 0 ICADRO CO[C@@]1(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC001538155412 1071525491 /nfs/dbraw/zinc/52/54/91/1071525491.db2.gz KJACDCPNHIOYCP-FQEVSTJZSA-N 1 0 425.551 0.845 20 0 ICADRO CO[C@]1(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC001538155413 1071525217 /nfs/dbraw/zinc/52/52/17/1071525217.db2.gz KJACDCPNHIOYCP-HXUWFJFHSA-N 1 0 425.551 0.845 20 0 ICADRO COC(=O)C1(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)CCS(=O)(=O)CC1 ZINC001538233011 1071527908 /nfs/dbraw/zinc/52/79/08/1071527908.db2.gz VSCWNTQDUBRQAY-UHFFFAOYSA-N 1 0 426.535 0.796 20 0 ICADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001538320518 1071531026 /nfs/dbraw/zinc/53/10/26/1071531026.db2.gz ICWARVZOCDYDOT-KRWDZBQOSA-N 1 0 441.525 0.830 20 0 ICADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001538320519 1071530800 /nfs/dbraw/zinc/53/08/00/1071530800.db2.gz ICWARVZOCDYDOT-QGZVFWFLSA-N 1 0 441.525 0.830 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC001538320596 1071530866 /nfs/dbraw/zinc/53/08/66/1071530866.db2.gz KFDYJDHMNQKFSZ-GOSISDBHSA-N 1 0 438.550 0.635 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC001538320597 1071530698 /nfs/dbraw/zinc/53/06/98/1071530698.db2.gz KFDYJDHMNQKFSZ-SFHVURJKSA-N 1 0 438.550 0.635 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)CC2)cn1C ZINC001538320608 1071531057 /nfs/dbraw/zinc/53/10/57/1071531057.db2.gz KWAMRGBCIOSVDA-GOSISDBHSA-N 1 0 439.582 0.499 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)CC2)cn1C ZINC001538320609 1071530732 /nfs/dbraw/zinc/53/07/32/1071530732.db2.gz KWAMRGBCIOSVDA-SFHVURJKSA-N 1 0 439.582 0.499 20 0 ICADRO CCn1c(CCC(=O)NC[C@@H]2CC[N@@H+]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001538352978 1071532317 /nfs/dbraw/zinc/53/23/17/1071532317.db2.gz ZRPYLTKAUDVARZ-INIZCTEOSA-N 1 0 449.577 0.830 20 0 ICADRO CCn1c(CCC(=O)NC[C@H]2CC[N@@H+]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001538352979 1071532497 /nfs/dbraw/zinc/53/24/97/1071532497.db2.gz ZRPYLTKAUDVARZ-MRXNPFEDSA-N 1 0 449.577 0.830 20 0 ICADRO CCS(=O)(=O)c1ccccc1CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001538425373 1071535318 /nfs/dbraw/zinc/53/53/18/1071535318.db2.gz GFAIMYYDGHHVPW-UHFFFAOYSA-N 1 0 425.551 0.272 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001538426308 1071535382 /nfs/dbraw/zinc/53/53/82/1071535382.db2.gz OZZRWVPMIPFDAJ-UHFFFAOYSA-N 1 0 437.562 0.875 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001538426541 1071535392 /nfs/dbraw/zinc/53/53/92/1071535392.db2.gz QUIFNZZDRACUDV-UHFFFAOYSA-N 1 0 436.463 0.743 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nc(N(C)C)ncc1Br ZINC001538427138 1071535257 /nfs/dbraw/zinc/53/52/57/1071535257.db2.gz VOYYOBSJIADUTP-UHFFFAOYSA-N 1 0 443.346 0.168 20 0 ICADRO CCS(=O)(=O)c1ccc(CCC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)cc1 ZINC001538427525 1071535365 /nfs/dbraw/zinc/53/53/65/1071535365.db2.gz WWMVQOZQRPNLND-UHFFFAOYSA-N 1 0 439.578 0.662 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCS(=O)(=O)Cc1cccc(C)c1 ZINC001538427657 1071535291 /nfs/dbraw/zinc/53/52/91/1071535291.db2.gz YOMAVHZIPKBRPN-UHFFFAOYSA-N 1 0 439.578 0.549 20 0 ICADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001538429148 1071535373 /nfs/dbraw/zinc/53/53/73/1071535373.db2.gz GLIVDEWNVVOGLP-VAMGGRTRSA-N 1 0 426.521 0.609 20 0 ICADRO CC(C)(CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC001538443457 1071536477 /nfs/dbraw/zinc/53/64/77/1071536477.db2.gz SRMFCLXMWDKJAC-UHFFFAOYSA-N 1 0 431.580 0.749 20 0 ICADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001538569431 1071539751 /nfs/dbraw/zinc/53/97/51/1071539751.db2.gz XHTLHIMRXIHROG-SFHVURJKSA-N 1 0 438.594 0.947 20 0 ICADRO Cc1c(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001538577777 1071540980 /nfs/dbraw/zinc/54/09/80/1071540980.db2.gz QUQVSIZYDPUHRK-INIZCTEOSA-N 1 0 433.534 0.449 20 0 ICADRO Cc1c(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001538577778 1071541178 /nfs/dbraw/zinc/54/11/78/1071541178.db2.gz QUQVSIZYDPUHRK-MRXNPFEDSA-N 1 0 433.534 0.449 20 0 ICADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001538584985 1071541826 /nfs/dbraw/zinc/54/18/26/1071541826.db2.gz ABPVDRDZBUYUFJ-HNNXBMFYSA-N 1 0 429.564 0.752 20 0 ICADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001538584987 1071541934 /nfs/dbraw/zinc/54/19/34/1071541934.db2.gz ABPVDRDZBUYUFJ-OAHLLOKOSA-N 1 0 429.564 0.752 20 0 ICADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001538587792 1071541967 /nfs/dbraw/zinc/54/19/67/1071541967.db2.gz XWTZXCPFFHFGOX-INIZCTEOSA-N 1 0 426.539 0.029 20 0 ICADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001538587793 1071541879 /nfs/dbraw/zinc/54/18/79/1071541879.db2.gz XWTZXCPFFHFGOX-MRXNPFEDSA-N 1 0 426.539 0.029 20 0 ICADRO CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001538710850 1071546800 /nfs/dbraw/zinc/54/68/00/1071546800.db2.gz CTMJFYBKPYZYRG-UHFFFAOYSA-N 1 0 428.480 0.724 20 0 ICADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC001538712724 1071546930 /nfs/dbraw/zinc/54/69/30/1071546930.db2.gz QNBKRJHRDUZIIB-UHFFFAOYSA-N 1 0 428.480 0.724 20 0 ICADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)c(C)c2)CC1 ZINC001538938691 1071555540 /nfs/dbraw/zinc/55/55/40/1071555540.db2.gz MKXKDVQULOSGSU-NJDAHSKKSA-N 1 0 440.548 0.999 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001538939005 1071555696 /nfs/dbraw/zinc/55/56/96/1071555696.db2.gz PDDKNSLYQDSYJL-UHFFFAOYSA-N 1 0 438.594 0.740 20 0 ICADRO NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)cc1 ZINC001539068129 1071560433 /nfs/dbraw/zinc/56/04/33/1071560433.db2.gz WITVQJBTGOUAGN-KRWDZBQOSA-N 1 0 436.534 0.232 20 0 ICADRO NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)cc1 ZINC001539068131 1071560650 /nfs/dbraw/zinc/56/06/50/1071560650.db2.gz WITVQJBTGOUAGN-QGZVFWFLSA-N 1 0 436.534 0.232 20 0 ICADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001539080943 1071561241 /nfs/dbraw/zinc/56/12/41/1071561241.db2.gz BMBPKSHREZTWQW-UHFFFAOYSA-N 1 0 437.543 0.862 20 0 ICADRO CC(C)[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001539194764 1071568928 /nfs/dbraw/zinc/56/89/28/1071568928.db2.gz XXMNGUJEDSOKEM-GOSISDBHSA-N 1 0 438.532 0.803 20 0 ICADRO CC(C)[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001539194766 1071569109 /nfs/dbraw/zinc/56/91/09/1071569109.db2.gz XXMNGUJEDSOKEM-SFHVURJKSA-N 1 0 438.532 0.803 20 0 ICADRO COCCNC(=O)CN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1 ZINC001539209940 1071571885 /nfs/dbraw/zinc/57/18/85/1071571885.db2.gz FRMSGLUJSFNWIZ-UHFFFAOYSA-N 1 0 442.564 0.632 20 0 ICADRO NS(=O)(=O)c1nc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n2ccccc12 ZINC001539270575 1071581197 /nfs/dbraw/zinc/58/11/97/1071581197.db2.gz GIDPIMYBCNNTCB-UHFFFAOYSA-N 1 0 442.545 0.529 20 0 ICADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC001539361026 1071584671 /nfs/dbraw/zinc/58/46/71/1071584671.db2.gz 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CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001540518494 1071646699 /nfs/dbraw/zinc/64/66/99/1071646699.db2.gz QQUQLXVIUXOWQS-UHFFFAOYSA-N 1 0 442.607 0.957 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001540518589 1071646682 /nfs/dbraw/zinc/64/66/82/1071646682.db2.gz UZXZLQPKDAGKLR-CTNGQTDRSA-N 1 0 432.540 0.570 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001540518590 1071646669 /nfs/dbraw/zinc/64/66/69/1071646669.db2.gz UZXZLQPKDAGKLR-FPOVZHCZSA-N 1 0 432.540 0.570 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001540518591 1071646723 /nfs/dbraw/zinc/64/67/23/1071646723.db2.gz UZXZLQPKDAGKLR-PZJWPPBQSA-N 1 0 432.540 0.570 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001540518592 1071646748 /nfs/dbraw/zinc/64/67/48/1071646748.db2.gz UZXZLQPKDAGKLR-TZIWHRDSSA-N 1 0 432.540 0.570 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001540529847 1071647799 /nfs/dbraw/zinc/64/77/99/1071647799.db2.gz ILFZGBFTWPFRQS-BFJAYTPKSA-N 1 0 444.454 0.204 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001540529848 1071647733 /nfs/dbraw/zinc/64/77/33/1071647733.db2.gz ILFZGBFTWPFRQS-CLWVCHIJSA-N 1 0 444.454 0.204 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001540529849 1071647878 /nfs/dbraw/zinc/64/78/78/1071647878.db2.gz ILFZGBFTWPFRQS-OCVGTWLNSA-N 1 0 444.454 0.204 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001540529850 1071647862 /nfs/dbraw/zinc/64/78/62/1071647862.db2.gz ILFZGBFTWPFRQS-VRKREXBASA-N 1 0 444.454 0.204 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 ZINC001540529865 1071647899 /nfs/dbraw/zinc/64/78/99/1071647899.db2.gz 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C[NH+](C)CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 ZINC001540547516 1071650282 /nfs/dbraw/zinc/65/02/82/1071650282.db2.gz NHORTDLPQVTLSG-UHFFFAOYSA-N 1 0 444.623 0.461 20 0 ICADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC001540552325 1071650778 /nfs/dbraw/zinc/65/07/78/1071650778.db2.gz IPNADJLODLCCNG-CKEIUWERSA-N 1 0 433.958 0.595 20 0 ICADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC001540552326 1071651459 /nfs/dbraw/zinc/65/14/59/1071651459.db2.gz IPNADJLODLCCNG-CPUCHLNUSA-N 1 0 433.958 0.595 20 0 ICADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001540552327 1071651384 /nfs/dbraw/zinc/65/13/84/1071651384.db2.gz IPNADJLODLCCNG-JKIFEVAISA-N 1 0 433.958 0.595 20 0 ICADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001540552328 1071651433 /nfs/dbraw/zinc/65/14/33/1071651433.db2.gz IPNADJLODLCCNG-VBQJREDUSA-N 1 0 433.958 0.595 20 0 ICADRO CCOc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001540553272 1071651327 /nfs/dbraw/zinc/65/13/27/1071651327.db2.gz OMIYVJOVACOSAH-UHFFFAOYSA-N 1 0 440.566 0.538 20 0 ICADRO C[NH+]1CCN(CCNC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 ZINC001540588517 1071653758 /nfs/dbraw/zinc/65/37/58/1071653758.db2.gz QZVBIRBYWJPDFD-UHFFFAOYSA-N 1 0 431.541 0.774 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H]1c1nccn1C ZINC001540596948 1071654335 /nfs/dbraw/zinc/65/43/35/1071654335.db2.gz GEXKAVVENBFRDL-PMACEKPBSA-N 1 0 441.536 0.172 20 0 ICADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)cc1 ZINC001540606134 1071655366 /nfs/dbraw/zinc/65/53/66/1071655366.db2.gz HODCGJUJSYNEKL-UHFFFAOYSA-N 1 0 433.534 0.794 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001540607437 1071655435 /nfs/dbraw/zinc/65/54/35/1071655435.db2.gz NLBGAJSZIGBTKX-KRWDZBQOSA-N 1 0 426.558 0.929 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001540607438 1071655376 /nfs/dbraw/zinc/65/53/76/1071655376.db2.gz NLBGAJSZIGBTKX-QGZVFWFLSA-N 1 0 426.558 0.929 20 0 ICADRO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC001540610717 1071656172 /nfs/dbraw/zinc/65/61/72/1071656172.db2.gz KNVLBPYURVWNKO-GOSISDBHSA-N 1 0 434.562 0.833 20 0 ICADRO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC001540610718 1071656019 /nfs/dbraw/zinc/65/60/19/1071656019.db2.gz KNVLBPYURVWNKO-SFHVURJKSA-N 1 0 434.562 0.833 20 0 ICADRO Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001540610873 1071656036 /nfs/dbraw/zinc/65/60/36/1071656036.db2.gz SZGLGQFVKPMRRM-UHFFFAOYSA-N 1 0 439.472 0.839 20 0 ICADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001540612114 1071656125 /nfs/dbraw/zinc/65/61/25/1071656125.db2.gz PMEGVFMZPOZYDZ-DOTOQJQBSA-N 1 0 425.574 0.643 20 0 ICADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001540612115 1071656194 /nfs/dbraw/zinc/65/61/94/1071656194.db2.gz PMEGVFMZPOZYDZ-NVXWUHKLSA-N 1 0 425.574 0.643 20 0 ICADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001540612116 1071656716 /nfs/dbraw/zinc/65/67/16/1071656716.db2.gz PMEGVFMZPOZYDZ-RDJZCZTQSA-N 1 0 425.574 0.643 20 0 ICADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001540612117 1071656622 /nfs/dbraw/zinc/65/66/22/1071656622.db2.gz PMEGVFMZPOZYDZ-WBVHZDCISA-N 1 0 425.574 0.643 20 0 ICADRO CC(C)(C)[NH2+]CCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001540616046 1071658481 /nfs/dbraw/zinc/65/84/81/1071658481.db2.gz YIZUAOIHIBCDHT-UHFFFAOYSA-N 1 0 439.582 0.529 20 0 ICADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cnn4c3S(=O)(=O)N(C)CC4)CC2)c1 ZINC001540626310 1071659825 /nfs/dbraw/zinc/65/98/25/1071659825.db2.gz FDRCEECGNBIFAF-UHFFFAOYSA-N 1 0 446.577 0.768 20 0 ICADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC001540643849 1071661723 /nfs/dbraw/zinc/66/17/23/1071661723.db2.gz JIKNZXVDNMPYEQ-GOSISDBHSA-N 1 0 445.607 0.995 20 0 ICADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC001540643850 1071661735 /nfs/dbraw/zinc/66/17/35/1071661735.db2.gz JIKNZXVDNMPYEQ-SFHVURJKSA-N 1 0 445.607 0.995 20 0 ICADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)cn2)CC1 ZINC001540650024 1071662845 /nfs/dbraw/zinc/66/28/45/1071662845.db2.gz VLWPBXUKAIZAHQ-KRWDZBQOSA-N 1 0 428.468 0.585 20 0 ICADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)cn2)CC1 ZINC001540650025 1071662614 /nfs/dbraw/zinc/66/26/14/1071662614.db2.gz VLWPBXUKAIZAHQ-QGZVFWFLSA-N 1 0 428.468 0.585 20 0 ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001540676471 1071664059 /nfs/dbraw/zinc/66/40/59/1071664059.db2.gz BNGDUNVPORRDDX-UHFFFAOYSA-N 1 0 449.533 0.428 20 0 ICADRO COc1cc(N)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1S(C)(=O)=O ZINC001540676481 1071664022 /nfs/dbraw/zinc/66/40/22/1071664022.db2.gz BUHZFAAEDHSHCM-UHFFFAOYSA-N 1 0 433.534 0.758 20 0 ICADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001540682563 1071664653 /nfs/dbraw/zinc/66/46/53/1071664653.db2.gz PBWFFDCBIADUQE-FQEVSTJZSA-N 1 0 439.534 0.138 20 0 ICADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001540682564 1071664680 /nfs/dbraw/zinc/66/46/80/1071664680.db2.gz PBWFFDCBIADUQE-HXUWFJFHSA-N 1 0 439.534 0.138 20 0 ICADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001540700871 1071667462 /nfs/dbraw/zinc/66/74/62/1071667462.db2.gz JWFXBYHLOVESGX-GHTZIAJQSA-N 1 0 437.562 0.165 20 0 ICADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001540700872 1071667545 /nfs/dbraw/zinc/66/75/45/1071667545.db2.gz JWFXBYHLOVESGX-NQIIRXRSSA-N 1 0 437.562 0.165 20 0 ICADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001540700873 1071667383 /nfs/dbraw/zinc/66/73/83/1071667383.db2.gz JWFXBYHLOVESGX-RXVVDRJESA-N 1 0 437.562 0.165 20 0 ICADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001540700874 1071667433 /nfs/dbraw/zinc/66/74/33/1071667433.db2.gz JWFXBYHLOVESGX-WIYYLYMNSA-N 1 0 437.562 0.165 20 0 ICADRO C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001540725483 1071668687 /nfs/dbraw/zinc/66/86/87/1071668687.db2.gz YLFZZSHSBYSSRE-KRWDZBQOSA-N 1 0 425.574 0.598 20 0 ICADRO C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001540725484 1071668644 /nfs/dbraw/zinc/66/86/44/1071668644.db2.gz YLFZZSHSBYSSRE-QGZVFWFLSA-N 1 0 425.574 0.598 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001540738341 1071669791 /nfs/dbraw/zinc/66/97/91/1071669791.db2.gz KSUUOLWGVWCEOS-NJDAHSKKSA-N 1 0 440.548 0.239 20 0 ICADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)CC2)c1 ZINC001540744238 1071670349 /nfs/dbraw/zinc/67/03/49/1071670349.db2.gz QSQAZPCZMSCKQI-GOSISDBHSA-N 1 0 428.541 0.205 20 0 ICADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)CC1 ZINC001540750374 1071670957 /nfs/dbraw/zinc/67/09/57/1071670957.db2.gz JMOJVLHBVMOLHM-UHFFFAOYSA-N 1 0 439.582 0.516 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)C[C@H](C)O1 ZINC001540761135 1071673951 /nfs/dbraw/zinc/67/39/51/1071673951.db2.gz WTPLUURZLGGIST-CALCHBBNSA-N 1 0 440.566 0.987 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)C[C@@H](C)O1 ZINC001540761136 1071674019 /nfs/dbraw/zinc/67/40/19/1071674019.db2.gz WTPLUURZLGGIST-IAGOWNOFSA-N 1 0 440.566 0.987 20 0 ICADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)C[C@H](C)O1 ZINC001540761137 1071673883 /nfs/dbraw/zinc/67/38/83/1071673883.db2.gz WTPLUURZLGGIST-IRXDYDNUSA-N 1 0 440.566 0.987 20 0 ICADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3nc(S(N)(=O)=O)c4ccccn43)cc2)CC1 ZINC001540769633 1071675278 /nfs/dbraw/zinc/67/52/78/1071675278.db2.gz SYGCUKTURKAGKE-UHFFFAOYSA-N 1 0 428.518 0.981 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001540774622 1071675206 /nfs/dbraw/zinc/67/52/06/1071675206.db2.gz KXTRFLRQHPIWQC-UHFFFAOYSA-N 1 0 446.577 0.585 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1 ZINC001540774855 1071675151 /nfs/dbraw/zinc/67/51/51/1071675151.db2.gz VRWFNXHHHTVWNG-FQEVSTJZSA-N 1 0 430.549 0.852 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1 ZINC001540774856 1071675035 /nfs/dbraw/zinc/67/50/35/1071675035.db2.gz VRWFNXHHHTVWNG-HXUWFJFHSA-N 1 0 430.549 0.852 20 0 ICADRO CC[NH+]1CCN(CCCNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001540779417 1071676463 /nfs/dbraw/zinc/67/64/63/1071676463.db2.gz PKBBPXWWCACALW-UHFFFAOYSA-N 1 0 445.607 0.262 20 0 ICADRO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001540783610 1071676369 /nfs/dbraw/zinc/67/63/69/1071676369.db2.gz FURKOMRFQGFEKA-UHFFFAOYSA-N 1 0 426.587 0.712 20 0 ICADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC001540785064 1071676432 /nfs/dbraw/zinc/67/64/32/1071676432.db2.gz AKRRUPAZHMKVFP-UHFFFAOYSA-N 1 0 429.564 0.455 20 0 ICADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC001540808220 1071677036 /nfs/dbraw/zinc/67/70/36/1071677036.db2.gz CLWYVSSTLJHBNX-QFIPXVFZSA-N 1 0 442.535 0.909 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3CCC[C@H](C(=O)OC)C3=O)cc2)CC1 ZINC001540809932 1071677083 /nfs/dbraw/zinc/67/70/83/1071677083.db2.gz OWKFTKILSSGSKX-FQEVSTJZSA-N 1 0 430.549 0.852 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3CCC[C@@H](C(=O)OC)C3=O)cc2)CC1 ZINC001540809933 1071677050 /nfs/dbraw/zinc/67/70/50/1071677050.db2.gz OWKFTKILSSGSKX-HXUWFJFHSA-N 1 0 430.549 0.852 20 0 ICADRO C[NH+](C)CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cn1 ZINC001540816521 1071679297 /nfs/dbraw/zinc/67/92/97/1071679297.db2.gz HWAZHDWPBSYWJG-UHFFFAOYSA-N 1 0 447.521 0.173 20 0 ICADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001540816733 1071679859 /nfs/dbraw/zinc/67/98/59/1071679859.db2.gz QDIZNYZMUSOLFY-INIZCTEOSA-N 1 0 438.550 0.258 20 0 ICADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001540816734 1071679802 /nfs/dbraw/zinc/67/98/02/1071679802.db2.gz QDIZNYZMUSOLFY-MRXNPFEDSA-N 1 0 438.550 0.258 20 0 ICADRO O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001540816907 1071679877 /nfs/dbraw/zinc/67/98/77/1071679877.db2.gz WRRXAFOMXNDWAQ-CYBMUJFWSA-N 1 0 425.486 0.535 20 0 ICADRO O=C(CC[N@H+]1CC[C@H](F)C1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001540816908 1071679689 /nfs/dbraw/zinc/67/96/89/1071679689.db2.gz WRRXAFOMXNDWAQ-ZDUSSCGKSA-N 1 0 425.486 0.535 20 0 ICADRO O=C(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N[C@H]1CCS(=O)(=O)C1 ZINC001540823150 1071680517 /nfs/dbraw/zinc/68/05/17/1071680517.db2.gz BADIVLKQKQFYNP-CNNODRBYSA-N 1 0 449.573 0.335 20 0 ICADRO O=C(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N[C@@H]1CCS(=O)(=O)C1 ZINC001540823151 1071680488 /nfs/dbraw/zinc/68/04/88/1071680488.db2.gz BADIVLKQKQFYNP-DXIQSLLYSA-N 1 0 449.573 0.335 20 0 ICADRO O=C(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N[C@H]1CCS(=O)(=O)C1 ZINC001540823152 1071680445 /nfs/dbraw/zinc/68/04/45/1071680445.db2.gz BADIVLKQKQFYNP-IPJJNNNSSA-N 1 0 449.573 0.335 20 0 ICADRO O=C(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N[C@@H]1CCS(=O)(=O)C1 ZINC001540823153 1071680507 /nfs/dbraw/zinc/68/05/07/1071680507.db2.gz BADIVLKQKQFYNP-XQBPLPMBSA-N 1 0 449.573 0.335 20 0 ICADRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001540834757 1071682267 /nfs/dbraw/zinc/68/22/67/1071682267.db2.gz LVIAOUPXFHUCEN-UHFFFAOYSA-N 1 0 431.493 0.864 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 ZINC001540835000 1071682303 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CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001540972362 1071715107 /nfs/dbraw/zinc/71/51/07/1071715107.db2.gz GZHAZESILQERCX-LPHOPBHVSA-N 1 0 442.568 0.885 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001540972363 1071715200 /nfs/dbraw/zinc/71/52/00/1071715200.db2.gz GZHAZESILQERCX-QFBILLFUSA-N 1 0 442.568 0.885 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001540972364 1071715219 /nfs/dbraw/zinc/71/52/19/1071715219.db2.gz GZHAZESILQERCX-VQIMIIECSA-N 1 0 442.568 0.885 20 0 ICADRO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)[C@@H](C)C1 ZINC001540974076 1071715635 /nfs/dbraw/zinc/71/56/35/1071715635.db2.gz GMGVVOOERHAKAX-INIZCTEOSA-N 1 0 444.540 0.561 20 0 ICADRO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)[C@H](C)C1 ZINC001540974083 1071715608 /nfs/dbraw/zinc/71/56/08/1071715608.db2.gz GMGVVOOERHAKAX-MRXNPFEDSA-N 1 0 444.540 0.561 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC001540982896 1071717385 /nfs/dbraw/zinc/71/73/85/1071717385.db2.gz ARSLGHDBMRGZEB-INIZCTEOSA-N 1 0 430.557 0.846 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC001540982898 1071717465 /nfs/dbraw/zinc/71/74/65/1071717465.db2.gz ARSLGHDBMRGZEB-MRXNPFEDSA-N 1 0 430.557 0.846 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)[C@H](C)C1 ZINC001540983777 1071717398 /nfs/dbraw/zinc/71/73/98/1071717398.db2.gz NTMNWGITDSEBCL-APWZRJJASA-N 1 0 430.557 0.582 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)[C@@H](C)C1 ZINC001540983780 1071717369 /nfs/dbraw/zinc/71/73/69/1071717369.db2.gz NTMNWGITDSEBCL-LPHOPBHVSA-N 1 0 430.557 0.582 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@@H+]2CCCO)[C@@H](C)C1 ZINC001540983782 1071717340 /nfs/dbraw/zinc/71/73/40/1071717340.db2.gz NTMNWGITDSEBCL-QFBILLFUSA-N 1 0 430.557 0.582 20 0 ICADRO 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CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001540992820 1071720040 /nfs/dbraw/zinc/72/00/40/1071720040.db2.gz XOQHUFNSUVDVJO-FQEVSTJZSA-N 1 0 433.601 0.724 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001540992821 1071720012 /nfs/dbraw/zinc/72/00/12/1071720012.db2.gz XOQHUFNSUVDVJO-HXUWFJFHSA-N 1 0 433.601 0.724 20 0 ICADRO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[NH+]2CCOCC2)CC1 ZINC001540996488 1071720492 /nfs/dbraw/zinc/72/04/92/1071720492.db2.gz KYBQGAACAWQYNQ-UHFFFAOYSA-N 1 0 444.584 0.921 20 0 ICADRO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001540996794 1071720934 /nfs/dbraw/zinc/72/09/34/1071720934.db2.gz SJWSKURVHXZDPF-UHFFFAOYSA-N 1 0 444.584 0.919 20 0 ICADRO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001540996854 1071720941 /nfs/dbraw/zinc/72/09/41/1071720941.db2.gz UXQOQGLZNXNVCB-UHFFFAOYSA-N 1 0 446.600 0.095 20 0 ICADRO 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CC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001541026959 1071728071 /nfs/dbraw/zinc/72/80/71/1071728071.db2.gz CZKCZBTVSBOJPG-SFHVURJKSA-N 1 0 447.584 0.730 20 0 ICADRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 ZINC001541028023 1071728760 /nfs/dbraw/zinc/72/87/60/1071728760.db2.gz FMKXZMFSJOJQFE-KRWDZBQOSA-N 1 0 435.550 0.832 20 0 ICADRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 ZINC001541028027 1071728641 /nfs/dbraw/zinc/72/86/41/1071728641.db2.gz FMKXZMFSJOJQFE-QGZVFWFLSA-N 1 0 435.550 0.832 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001541028196 1071728745 /nfs/dbraw/zinc/72/87/45/1071728745.db2.gz COVMWWUHCDYJQN-BFYDXBDKSA-N 1 0 441.602 0.478 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001541028197 1071728572 /nfs/dbraw/zinc/72/85/72/1071728572.db2.gz COVMWWUHCDYJQN-HLLBOEOZSA-N 1 0 441.602 0.478 20 0 ICADRO 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CC(=O)NC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001541076639 1071742997 /nfs/dbraw/zinc/74/29/97/1071742997.db2.gz JKYRZQROTHPECU-AEFFLSMTSA-N 1 0 444.540 0.045 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001541076640 1071743095 /nfs/dbraw/zinc/74/30/95/1071743095.db2.gz JKYRZQROTHPECU-FUHWJXTLSA-N 1 0 444.540 0.045 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001541076641 1071742892 /nfs/dbraw/zinc/74/28/92/1071742892.db2.gz JKYRZQROTHPECU-SJLPKXTDSA-N 1 0 444.540 0.045 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001541076642 1071742837 /nfs/dbraw/zinc/74/28/37/1071742837.db2.gz JKYRZQROTHPECU-WMZOPIPTSA-N 1 0 444.540 0.045 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001541076671 1071743018 /nfs/dbraw/zinc/74/30/18/1071743018.db2.gz JWEFVVCINMRLRZ-CGTJXYLNSA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001541076672 1071743107 /nfs/dbraw/zinc/74/31/07/1071743107.db2.gz JWEFVVCINMRLRZ-JQHSSLGASA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001541076673 1071742921 /nfs/dbraw/zinc/74/29/21/1071742921.db2.gz JWEFVVCINMRLRZ-KBAYOESNSA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001541076674 1071742938 /nfs/dbraw/zinc/74/29/38/1071742938.db2.gz JWEFVVCINMRLRZ-NXHRZFHOSA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541077013 1071743039 /nfs/dbraw/zinc/74/30/39/1071743039.db2.gz MNEJHZPEATXDFK-DYESRHJHSA-N 1 0 429.525 0.056 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541077014 1071743574 /nfs/dbraw/zinc/74/35/74/1071743574.db2.gz MNEJHZPEATXDFK-LAUBAEHRSA-N 1 0 429.525 0.056 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541077015 1071743353 /nfs/dbraw/zinc/74/33/53/1071743353.db2.gz MNEJHZPEATXDFK-UTKZUKDTSA-N 1 0 429.525 0.056 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541077016 1071743431 /nfs/dbraw/zinc/74/34/31/1071743431.db2.gz MNEJHZPEATXDFK-UWJYYQICSA-N 1 0 429.525 0.056 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001541077061 1071743418 /nfs/dbraw/zinc/74/34/18/1071743418.db2.gz NTZWVFPDUNEDTP-BHIYHBOVSA-N 1 0 447.584 0.691 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001541077062 1071743370 /nfs/dbraw/zinc/74/33/70/1071743370.db2.gz NTZWVFPDUNEDTP-QRQLOZEOSA-N 1 0 447.584 0.691 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001541077063 1071743569 /nfs/dbraw/zinc/74/35/69/1071743569.db2.gz NTZWVFPDUNEDTP-QXAKKESOSA-N 1 0 447.584 0.691 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001541077064 1071743538 /nfs/dbraw/zinc/74/35/38/1071743538.db2.gz NTZWVFPDUNEDTP-UHOSZYNNSA-N 1 0 447.584 0.691 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001541077247 1071743383 /nfs/dbraw/zinc/74/33/83/1071743383.db2.gz PDVKHYRVKXMJLE-MOPGFXCFSA-N 1 0 447.584 0.835 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001541077248 1071743593 /nfs/dbraw/zinc/74/35/93/1071743593.db2.gz PDVKHYRVKXMJLE-OALUTQOASA-N 1 0 447.584 0.835 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001541077249 1071743478 /nfs/dbraw/zinc/74/34/78/1071743478.db2.gz PDVKHYRVKXMJLE-RBUKOAKNSA-N 1 0 447.584 0.835 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001541077250 1071743514 /nfs/dbraw/zinc/74/35/14/1071743514.db2.gz PDVKHYRVKXMJLE-RTBURBONSA-N 1 0 447.584 0.835 20 0 ICADRO COCCOCC[N@H+](C)CCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001541080368 1071746736 /nfs/dbraw/zinc/74/67/36/1071746736.db2.gz GQWBHSADODSDTB-UHFFFAOYSA-N 1 0 438.550 0.265 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541081204 1071747364 /nfs/dbraw/zinc/74/73/64/1071747364.db2.gz XVTAXGIFHBACGW-FXAWDEMLSA-N 1 0 434.566 0.338 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541081205 1071747285 /nfs/dbraw/zinc/74/72/85/1071747285.db2.gz XVTAXGIFHBACGW-PXNSSMCTSA-N 1 0 434.566 0.338 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541081206 1071747262 /nfs/dbraw/zinc/74/72/62/1071747262.db2.gz XVTAXGIFHBACGW-XLIONFOSSA-N 1 0 434.566 0.338 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001541081207 1071747330 /nfs/dbraw/zinc/74/73/30/1071747330.db2.gz XVTAXGIFHBACGW-YLJYHZDGSA-N 1 0 434.566 0.338 20 0 ICADRO CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541082949 1071748121 /nfs/dbraw/zinc/74/81/21/1071748121.db2.gz FMOCFDVWHZFTBK-GOSISDBHSA-N 1 0 433.557 0.199 20 0 ICADRO CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541082951 1071748215 /nfs/dbraw/zinc/74/82/15/1071748215.db2.gz FMOCFDVWHZFTBK-SFHVURJKSA-N 1 0 433.557 0.199 20 0 ICADRO CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001541087055 1071750308 /nfs/dbraw/zinc/75/03/08/1071750308.db2.gz BRQQGRHUDGALBA-UHFFFAOYSA-N 1 0 440.552 0.611 20 0 ICADRO CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001541089686 1071750708 /nfs/dbraw/zinc/75/07/08/1071750708.db2.gz DTBYWEZMHMLKAM-IBGZPJMESA-N 1 0 441.584 0.866 20 0 ICADRO CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001541089692 1071750740 /nfs/dbraw/zinc/75/07/40/1071750740.db2.gz DTBYWEZMHMLKAM-LJQANCHMSA-N 1 0 441.584 0.866 20 0 ICADRO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C 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GQMSZTMTVAPUIW-CEXWTWQISA-N 1 0 435.594 0.770 20 0 ICADRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)C[N@@H+]2C1 ZINC001541114016 1071754328 /nfs/dbraw/zinc/75/43/28/1071754328.db2.gz GQMSZTMTVAPUIW-GUDVDZBRSA-N 1 0 435.594 0.770 20 0 ICADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)C[N@@H+]2C1 ZINC001541114018 1071754361 /nfs/dbraw/zinc/75/43/61/1071754361.db2.gz GQMSZTMTVAPUIW-QRVBRYPASA-N 1 0 435.594 0.770 20 0 ICADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)C[N@@H+]2C1 ZINC001541114020 1071754383 /nfs/dbraw/zinc/75/43/83/1071754383.db2.gz GQMSZTMTVAPUIW-QYZOEREBSA-N 1 0 435.594 0.770 20 0 ICADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001541114538 1071754294 /nfs/dbraw/zinc/75/42/94/1071754294.db2.gz LTJRYEFSFAPYMK-UHFFFAOYSA-N 1 0 439.582 0.008 20 0 ICADRO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001541121588 1071756423 /nfs/dbraw/zinc/75/64/23/1071756423.db2.gz 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CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001541306592 1071785876 /nfs/dbraw/zinc/78/58/76/1071785876.db2.gz RQEFPGYTZAPXRH-CVEARBPZSA-N 1 0 426.587 0.830 20 0 ICADRO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001541306593 1071785989 /nfs/dbraw/zinc/78/59/89/1071785989.db2.gz RQEFPGYTZAPXRH-HOTGVXAUSA-N 1 0 426.587 0.830 20 0 ICADRO CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001541306594 1071785956 /nfs/dbraw/zinc/78/59/56/1071785956.db2.gz RQEFPGYTZAPXRH-HZPDHXFCSA-N 1 0 426.587 0.830 20 0 ICADRO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001541306595 1071786541 /nfs/dbraw/zinc/78/65/41/1071786541.db2.gz RQEFPGYTZAPXRH-JKSUJKDBSA-N 1 0 426.587 0.830 20 0 ICADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001541307092 1071786493 /nfs/dbraw/zinc/78/64/93/1071786493.db2.gz AGMTVQZPELVCAJ-MSOLQXFVSA-N 1 0 440.614 0.984 20 0 ICADRO CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001541307093 1071786627 /nfs/dbraw/zinc/78/66/27/1071786627.db2.gz AGMTVQZPELVCAJ-QZTJIDSGSA-N 1 0 440.614 0.984 20 0 ICADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001541307094 1071786713 /nfs/dbraw/zinc/78/67/13/1071786713.db2.gz AGMTVQZPELVCAJ-ROUUACIJSA-N 1 0 440.614 0.984 20 0 ICADRO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001541307095 1071786489 /nfs/dbraw/zinc/78/64/89/1071786489.db2.gz AGMTVQZPELVCAJ-ZWKOTPCHSA-N 1 0 440.614 0.984 20 0 ICADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1nnn(C)n1 ZINC001541337537 1071787199 /nfs/dbraw/zinc/78/71/99/1071787199.db2.gz CQIWZJNEAMARDC-UHFFFAOYSA-N 1 0 444.588 0.792 20 0 ICADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCNS(C)(=O)=O ZINC001541345580 1071787709 /nfs/dbraw/zinc/78/77/09/1071787709.db2.gz WRLRVVPFKRGGES-UHFFFAOYSA-N 1 0 441.646 0.946 20 0 ICADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCN1CCCS1(=O)=O ZINC001541359194 1071788962 /nfs/dbraw/zinc/78/89/62/1071788962.db2.gz AFPZAWFHMYVDBB-SFHVURJKSA-N 1 0 440.614 0.986 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001541359645 1071788803 /nfs/dbraw/zinc/78/88/03/1071788803.db2.gz SAPQQBADSCTBKF-UHFFFAOYSA-N 1 0 449.600 0.639 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001541360577 1071788752 /nfs/dbraw/zinc/78/87/52/1071788752.db2.gz BTZHSTUIXIBOQK-UHFFFAOYSA-N 1 0 447.584 0.395 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541360578 1071788927 /nfs/dbraw/zinc/78/89/27/1071788927.db2.gz BUDPOLOSIXMXAP-IBGZPJMESA-N 1 0 449.600 0.823 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541360579 1071788840 /nfs/dbraw/zinc/78/88/40/1071788840.db2.gz BUDPOLOSIXMXAP-LJQANCHMSA-N 1 0 449.600 0.823 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541360599 1071788766 /nfs/dbraw/zinc/78/87/66/1071788766.db2.gz CKRLSBIWOCGXNM-IBGZPJMESA-N 1 0 433.601 0.723 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541360600 1071789571 /nfs/dbraw/zinc/78/95/71/1071789571.db2.gz CKRLSBIWOCGXNM-LJQANCHMSA-N 1 0 433.601 0.723 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001541360677 1071789581 /nfs/dbraw/zinc/78/95/81/1071789581.db2.gz GMYGUXPRSOQJBU-UHFFFAOYSA-N 1 0 433.601 0.868 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCN1CCOCC1 ZINC001541360690 1071789407 /nfs/dbraw/zinc/78/94/07/1071789407.db2.gz HPLHYFKWMKECAC-UHFFFAOYSA-N 1 0 433.601 0.868 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCN1CCOC[C@@H]1C ZINC001541360693 1071789529 /nfs/dbraw/zinc/78/95/29/1071789529.db2.gz HRIFZMIXLSBATJ-IBGZPJMESA-N 1 0 433.601 0.867 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCN1CCOC[C@H]1C ZINC001541360694 1071789451 /nfs/dbraw/zinc/78/94/51/1071789451.db2.gz HRIFZMIXLSBATJ-LJQANCHMSA-N 1 0 433.601 0.867 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001541360896 1071789500 /nfs/dbraw/zinc/78/95/00/1071789500.db2.gz OBZUSQOTURVCOM-INIZCTEOSA-N 1 0 446.556 0.134 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCn1cc(CO)nn1 ZINC001541360962 1071789423 /nfs/dbraw/zinc/78/94/23/1071789423.db2.gz QZYYCBCANHGVSM-UHFFFAOYSA-N 1 0 445.572 0.320 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001541361167 1071789347 /nfs/dbraw/zinc/78/93/47/1071789347.db2.gz YYOALXFQABGSIT-IBGZPJMESA-N 1 0 433.601 0.867 20 0 ICADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001541361168 1071789474 /nfs/dbraw/zinc/78/94/74/1071789474.db2.gz YYOALXFQABGSIT-LJQANCHMSA-N 1 0 433.601 0.867 20 0 ICADRO CC(C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541363055 1071789910 /nfs/dbraw/zinc/78/99/10/1071789910.db2.gz KFEWJZPQEONOFB-JOCHJYFZSA-N 1 0 427.553 0.894 20 0 ICADRO CC(C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541363056 1071790013 /nfs/dbraw/zinc/79/00/13/1071790013.db2.gz KFEWJZPQEONOFB-QFIPXVFZSA-N 1 0 427.553 0.894 20 0 ICADRO CC(C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541364085 1071790235 /nfs/dbraw/zinc/79/02/35/1071790235.db2.gz XTYZGUCQAORJJM-KRWDZBQOSA-N 1 0 430.557 0.835 20 0 ICADRO CC(C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541364086 1071790191 /nfs/dbraw/zinc/79/01/91/1071790191.db2.gz XTYZGUCQAORJJM-QGZVFWFLSA-N 1 0 430.557 0.835 20 0 ICADRO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001541366427 1071790880 /nfs/dbraw/zinc/79/08/80/1071790880.db2.gz CYQNFDQYQQHWBP-MSOLQXFVSA-N 1 0 440.614 0.842 20 0 ICADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001541366428 1071790784 /nfs/dbraw/zinc/79/07/84/1071790784.db2.gz CYQNFDQYQQHWBP-QZTJIDSGSA-N 1 0 440.614 0.842 20 0 ICADRO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001541366429 1071790968 /nfs/dbraw/zinc/79/09/68/1071790968.db2.gz CYQNFDQYQQHWBP-ROUUACIJSA-N 1 0 440.614 0.842 20 0 ICADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001541366430 1071790951 /nfs/dbraw/zinc/79/09/51/1071790951.db2.gz CYQNFDQYQQHWBP-ZWKOTPCHSA-N 1 0 440.614 0.842 20 0 ICADRO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001541367041 1071791487 /nfs/dbraw/zinc/79/14/87/1071791487.db2.gz XJQPYIUPZIZCLL-KRWDZBQOSA-N 1 0 426.587 0.596 20 0 ICADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001541367042 1071791332 /nfs/dbraw/zinc/79/13/32/1071791332.db2.gz XJQPYIUPZIZCLL-QGZVFWFLSA-N 1 0 426.587 0.596 20 0 ICADRO CC(C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[NH+]1CCCCC1 ZINC001541367251 1071791412 /nfs/dbraw/zinc/79/14/12/1071791412.db2.gz FAZQSGYQNSGMRY-UHFFFAOYSA-N 1 0 445.572 0.354 20 0 ICADRO CC(C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001541367791 1071791455 /nfs/dbraw/zinc/79/14/55/1071791455.db2.gz UBFVRRUWVLQPJQ-HNNXBMFYSA-N 1 0 445.572 0.351 20 0 ICADRO CC(C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001541367792 1071792020 /nfs/dbraw/zinc/79/20/20/1071792020.db2.gz UBFVRRUWVLQPJQ-OAHLLOKOSA-N 1 0 445.572 0.351 20 0 ICADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001541412596 1071793820 /nfs/dbraw/zinc/79/38/20/1071793820.db2.gz SHJFFUXTMNSRDJ-KRWDZBQOSA-N 1 0 437.589 0.688 20 0 ICADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001541412597 1071793600 /nfs/dbraw/zinc/79/36/00/1071793600.db2.gz SHJFFUXTMNSRDJ-QGZVFWFLSA-N 1 0 437.589 0.688 20 0 ICADRO CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001541412963 1071793649 /nfs/dbraw/zinc/79/36/49/1071793649.db2.gz ZZOAVWANGIIUFV-CABCVRRESA-N 1 0 434.632 0.433 20 0 ICADRO CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001541412964 1071793731 /nfs/dbraw/zinc/79/37/31/1071793731.db2.gz ZZOAVWANGIIUFV-GJZGRUSLSA-N 1 0 434.632 0.433 20 0 ICADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001541412965 1071793531 /nfs/dbraw/zinc/79/35/31/1071793531.db2.gz ZZOAVWANGIIUFV-HUUCEWRRSA-N 1 0 434.632 0.433 20 0 ICADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001541412966 1071793592 /nfs/dbraw/zinc/79/35/92/1071793592.db2.gz ZZOAVWANGIIUFV-LSDHHAIUSA-N 1 0 434.632 0.433 20 0 ICADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541414383 1071793716 /nfs/dbraw/zinc/79/37/16/1071793716.db2.gz AMGJXXNZMPPAQN-INIZCTEOSA-N 1 0 436.586 0.793 20 0 ICADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541414384 1071793676 /nfs/dbraw/zinc/79/36/76/1071793676.db2.gz AMGJXXNZMPPAQN-MRXNPFEDSA-N 1 0 436.586 0.793 20 0 ICADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417339 1071793626 /nfs/dbraw/zinc/79/36/26/1071793626.db2.gz XRGLULQCHCBZAB-CVEARBPZSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417340 1071793554 /nfs/dbraw/zinc/79/35/54/1071793554.db2.gz XRGLULQCHCBZAB-HOTGVXAUSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417341 1071793698 /nfs/dbraw/zinc/79/36/98/1071793698.db2.gz XRGLULQCHCBZAB-HZPDHXFCSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417342 1071793792 /nfs/dbraw/zinc/79/37/92/1071793792.db2.gz XRGLULQCHCBZAB-JKSUJKDBSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417485 1071793753 /nfs/dbraw/zinc/79/37/53/1071793753.db2.gz ZOIBFEZTZKXYPK-DLBZAZTESA-N 1 0 428.603 0.840 20 0 ICADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417486 1071793808 /nfs/dbraw/zinc/79/38/08/1071793808.db2.gz ZOIBFEZTZKXYPK-IAGOWNOFSA-N 1 0 428.603 0.840 20 0 ICADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417487 1071793618 /nfs/dbraw/zinc/79/36/18/1071793618.db2.gz ZOIBFEZTZKXYPK-IRXDYDNUSA-N 1 0 428.603 0.840 20 0 ICADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541417488 1071793638 /nfs/dbraw/zinc/79/36/38/1071793638.db2.gz ZOIBFEZTZKXYPK-SJORKVTESA-N 1 0 428.603 0.840 20 0 ICADRO CC(C)Cc1nnc(N(C)CCNS(C)(=O)=O)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001541432923 1071794252 /nfs/dbraw/zinc/79/42/52/1071794252.db2.gz WZDFJURTENFUQB-UHFFFAOYSA-N 1 0 430.619 0.697 20 0 ICADRO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001541467003 1071796089 /nfs/dbraw/zinc/79/60/89/1071796089.db2.gz CXIZGGZYSVAVOO-UHFFFAOYSA-N 1 0 431.585 0.912 20 0 ICADRO 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ZINC001541468726 1071797075 /nfs/dbraw/zinc/79/70/75/1071797075.db2.gz OXINRROMUDVQCE-UHFFFAOYSA-N 1 0 447.628 0.943 20 0 ICADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCn1cnnn1 ZINC001541468749 1071797001 /nfs/dbraw/zinc/79/70/01/1071797001.db2.gz PZWOJYBXTFAOCX-UHFFFAOYSA-N 1 0 430.561 0.298 20 0 ICADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001541468787 1071797109 /nfs/dbraw/zinc/79/71/09/1071797109.db2.gz RWWLTIVMUQJGEM-UHFFFAOYSA-N 1 0 441.527 0.602 20 0 ICADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541469871 1071797278 /nfs/dbraw/zinc/79/72/78/1071797278.db2.gz WVQCOKBPECGXFU-AUSIDOKSSA-N 1 0 447.628 0.676 20 0 ICADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541469872 1071797175 /nfs/dbraw/zinc/79/71/75/1071797175.db2.gz WVQCOKBPECGXFU-CVDCTZTESA-N 1 0 447.628 0.676 20 0 ICADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541469873 1071797778 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AOCOAJLLNDWFJL-CRAIPNDOSA-N 1 0 446.643 0.534 20 0 ICADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 ZINC001541556193 1071804634 /nfs/dbraw/zinc/80/46/34/1071804634.db2.gz AOCOAJLLNDWFJL-MAUKXSAKSA-N 1 0 446.643 0.534 20 0 ICADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 ZINC001541556194 1071805546 /nfs/dbraw/zinc/80/55/46/1071805546.db2.gz AOCOAJLLNDWFJL-QAPCUYQASA-N 1 0 446.643 0.534 20 0 ICADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 ZINC001541556195 1071805385 /nfs/dbraw/zinc/80/53/85/1071805385.db2.gz AOCOAJLLNDWFJL-YJBOKZPZSA-N 1 0 446.643 0.534 20 0 ICADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2ccnn2)CC1 ZINC001541556264 1071805501 /nfs/dbraw/zinc/80/55/01/1071805501.db2.gz BMAZIRUPWQUAES-INIZCTEOSA-N 1 0 439.590 0.348 20 0 ICADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2ccnn2)CC1 ZINC001541556265 1071805215 /nfs/dbraw/zinc/80/52/15/1071805215.db2.gz BMAZIRUPWQUAES-MRXNPFEDSA-N 1 0 439.590 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CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001541607340 1071816011 /nfs/dbraw/zinc/81/60/11/1071816011.db2.gz MBKNKPNBGHJPCZ-OAHLLOKOSA-N 1 0 440.570 0.599 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001541607476 1071815529 /nfs/dbraw/zinc/81/55/29/1071815529.db2.gz PGTNLMQNLFTIGU-FGTMMUONSA-N 1 0 441.598 0.905 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001541607477 1071815781 /nfs/dbraw/zinc/81/57/81/1071815781.db2.gz PGTNLMQNLFTIGU-KURKYZTESA-N 1 0 441.598 0.905 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001541607478 1071815701 /nfs/dbraw/zinc/81/57/01/1071815701.db2.gz PGTNLMQNLFTIGU-KZNAEPCWSA-N 1 0 441.598 0.905 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001541607479 1071815990 /nfs/dbraw/zinc/81/59/90/1071815990.db2.gz PGTNLMQNLFTIGU-SQNIBIBYSA-N 1 0 441.598 0.905 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001541607560 1071815937 /nfs/dbraw/zinc/81/59/37/1071815937.db2.gz SCSDRBJQPKCILD-HNNXBMFYSA-N 1 0 428.603 0.871 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001541607561 1071815727 /nfs/dbraw/zinc/81/57/27/1071815727.db2.gz SCSDRBJQPKCILD-OAHLLOKOSA-N 1 0 428.603 0.871 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607651 1071815950 /nfs/dbraw/zinc/81/59/50/1071815950.db2.gz VKQMMOFBSDEALQ-KRWDZBQOSA-N 1 0 448.597 0.637 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607652 1071815758 /nfs/dbraw/zinc/81/57/58/1071815758.db2.gz VKQMMOFBSDEALQ-QGZVFWFLSA-N 1 0 448.597 0.637 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001541607723 1071815666 /nfs/dbraw/zinc/81/56/66/1071815666.db2.gz XDLOJIDGBQOTPM-UHFFFAOYSA-N 1 0 432.577 0.542 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607974 1071815744 /nfs/dbraw/zinc/81/57/44/1071815744.db2.gz FLQLOVWRXQHIIF-UHFFFAOYSA-N 1 0 427.557 0.857 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001541608336 1071815973 /nfs/dbraw/zinc/81/59/73/1071815973.db2.gz RVUUVLVLKRQBIO-CVEARBPZSA-N 1 0 428.603 0.999 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001541608337 1071815679 /nfs/dbraw/zinc/81/56/79/1071815679.db2.gz RVUUVLVLKRQBIO-HOTGVXAUSA-N 1 0 428.603 0.999 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001541608338 1071815873 /nfs/dbraw/zinc/81/58/73/1071815873.db2.gz RVUUVLVLKRQBIO-HZPDHXFCSA-N 1 0 428.603 0.999 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001541608339 1071815639 /nfs/dbraw/zinc/81/56/39/1071815639.db2.gz RVUUVLVLKRQBIO-JKSUJKDBSA-N 1 0 428.603 0.999 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001541608350 1071815507 /nfs/dbraw/zinc/81/55/07/1071815507.db2.gz SBXCQFZWGBMXRD-UHFFFAOYSA-N 1 0 441.602 0.212 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001541608394 1071816470 /nfs/dbraw/zinc/81/64/70/1071816470.db2.gz ULTJDVYMOAOFBO-UHFFFAOYSA-N 1 0 433.601 0.552 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001541608451 1071816666 /nfs/dbraw/zinc/81/66/66/1071816666.db2.gz WMFZZMWGAOZNSY-UHFFFAOYSA-N 1 0 446.556 0.261 20 0 ICADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C ZINC001541615636 1071816405 /nfs/dbraw/zinc/81/64/05/1071816405.db2.gz QHGIIDKWIYBJAS-DLBZAZTESA-N 1 0 432.573 0.952 20 0 ICADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C ZINC001541615637 1071816599 /nfs/dbraw/zinc/81/65/99/1071816599.db2.gz QHGIIDKWIYBJAS-IAGOWNOFSA-N 1 0 432.573 0.952 20 0 ICADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C ZINC001541615638 1071816561 /nfs/dbraw/zinc/81/65/61/1071816561.db2.gz QHGIIDKWIYBJAS-IRXDYDNUSA-N 1 0 432.573 0.952 20 0 ICADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C ZINC001541615639 1071816634 /nfs/dbraw/zinc/81/66/34/1071816634.db2.gz QHGIIDKWIYBJAS-SJORKVTESA-N 1 0 432.573 0.952 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001541616464 1071816449 /nfs/dbraw/zinc/81/64/49/1071816449.db2.gz CMFNZQRKOWYERU-MSOLQXFVSA-N 1 0 447.584 0.786 20 0 ICADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001541616468 1071816585 /nfs/dbraw/zinc/81/65/85/1071816585.db2.gz CMFNZQRKOWYERU-QZTJIDSGSA-N 1 0 447.584 0.786 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001541616469 1071816393 /nfs/dbraw/zinc/81/63/93/1071816393.db2.gz CMFNZQRKOWYERU-ROUUACIJSA-N 1 0 447.584 0.786 20 0 ICADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001541616471 1071816568 /nfs/dbraw/zinc/81/65/68/1071816568.db2.gz CMFNZQRKOWYERU-ZWKOTPCHSA-N 1 0 447.584 0.786 20 0 ICADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001541617139 1071816460 /nfs/dbraw/zinc/81/64/60/1071816460.db2.gz ISFBXOVFSNOUIL-GOSISDBHSA-N 1 0 448.616 0.558 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001541617147 1071816421 /nfs/dbraw/zinc/81/64/21/1071816421.db2.gz ISFBXOVFSNOUIL-SFHVURJKSA-N 1 0 448.616 0.558 20 0 ICADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC001541617687 1071816496 /nfs/dbraw/zinc/81/64/96/1071816496.db2.gz SJGZXWFIYGUQJI-UHFFFAOYSA-N 1 0 436.586 0.936 20 0 ICADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001541617982 1071816548 /nfs/dbraw/zinc/81/65/48/1071816548.db2.gz SQKDURJTDGKWME-UHFFFAOYSA-N 1 0 444.588 1.000 20 0 ICADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1)C(C)C ZINC001541618689 1071817170 /nfs/dbraw/zinc/81/71/70/1071817170.db2.gz DVOGCWAKILLPMY-UHFFFAOYSA-N 1 0 449.600 0.814 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001541619039 1071817235 /nfs/dbraw/zinc/81/72/35/1071817235.db2.gz RLHXCCBEEQGCKW-UHFFFAOYSA-N 1 0 447.584 0.451 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)CC1 ZINC001541619360 1071817342 /nfs/dbraw/zinc/81/73/42/1071817342.db2.gz GKBIVHRYOKKULU-INIZCTEOSA-N 1 0 427.571 0.252 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)CC1 ZINC001541619363 1071817295 /nfs/dbraw/zinc/81/72/95/1071817295.db2.gz GKBIVHRYOKKULU-MRXNPFEDSA-N 1 0 427.571 0.252 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001541619480 1071817211 /nfs/dbraw/zinc/81/72/11/1071817211.db2.gz IKSXGQUCSCBTLO-UHFFFAOYSA-N 1 0 434.566 0.810 20 0 ICADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)N(C)C)CC2)CC1 ZINC001541619534 1071817292 /nfs/dbraw/zinc/81/72/92/1071817292.db2.gz ZGONMEJUGAJBKZ-GOSISDBHSA-N 1 0 433.601 0.865 20 0 ICADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)N(C)C)CC2)CC1 ZINC001541619536 1071817238 /nfs/dbraw/zinc/81/72/38/1071817238.db2.gz ZGONMEJUGAJBKZ-SFHVURJKSA-N 1 0 433.601 0.865 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001541619586 1071817252 /nfs/dbraw/zinc/81/72/52/1071817252.db2.gz IPIKBLPMBSAPRH-DLBZAZTESA-N 1 0 441.598 0.641 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001541619591 1071817328 /nfs/dbraw/zinc/81/73/28/1071817328.db2.gz IPIKBLPMBSAPRH-IAGOWNOFSA-N 1 0 441.598 0.641 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001541619593 1071817184 /nfs/dbraw/zinc/81/71/84/1071817184.db2.gz IPIKBLPMBSAPRH-IRXDYDNUSA-N 1 0 441.598 0.641 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001541619595 1071817283 /nfs/dbraw/zinc/81/72/83/1071817283.db2.gz IPIKBLPMBSAPRH-SJORKVTESA-N 1 0 441.598 0.641 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001541619955 1071817309 /nfs/dbraw/zinc/81/73/09/1071817309.db2.gz OTEOBTAAUKMEDK-INIZCTEOSA-N 1 0 449.581 0.594 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001541619958 1071817336 /nfs/dbraw/zinc/81/73/36/1071817336.db2.gz OTEOBTAAUKMEDK-MRXNPFEDSA-N 1 0 449.581 0.594 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001541620019 1071817316 /nfs/dbraw/zinc/81/73/16/1071817316.db2.gz OUKGKJCBWPVPKN-UHFFFAOYSA-N 1 0 437.570 0.451 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001541620022 1071817265 /nfs/dbraw/zinc/81/72/65/1071817265.db2.gz OZLUOAHUBIZJRT-FQEVSTJZSA-N 1 0 430.557 0.616 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001541620023 1071817194 /nfs/dbraw/zinc/81/71/94/1071817194.db2.gz OZLUOAHUBIZJRT-HXUWFJFHSA-N 1 0 430.557 0.616 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001541620281 1071817151 /nfs/dbraw/zinc/81/71/51/1071817151.db2.gz XAKDZQZOJNHWSJ-UHFFFAOYSA-N 1 0 444.584 0.739 20 0 ICADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001541623369 1071817241 /nfs/dbraw/zinc/81/72/41/1071817241.db2.gz UVUADBRXYHRNTB-INIZCTEOSA-N 1 0 436.586 0.841 20 0 ICADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001541623370 1071817274 /nfs/dbraw/zinc/81/72/74/1071817274.db2.gz UVUADBRXYHRNTB-MRXNPFEDSA-N 1 0 436.586 0.841 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541624140 1071817218 /nfs/dbraw/zinc/81/72/18/1071817218.db2.gz BTACDAQTDQZJKD-HNNXBMFYSA-N 1 0 429.529 0.303 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541624144 1071818141 /nfs/dbraw/zinc/81/81/41/1071818141.db2.gz BTACDAQTDQZJKD-OAHLLOKOSA-N 1 0 429.529 0.303 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001541624691 1071817788 /nfs/dbraw/zinc/81/77/88/1071817788.db2.gz ACFCTZQDNCGASJ-UHFFFAOYSA-N 1 0 440.552 0.863 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001541624727 1071817951 /nfs/dbraw/zinc/81/79/51/1071817951.db2.gz NKHDNXFHNGCDFU-FXAWDEMLSA-N 1 0 441.598 0.906 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001541624730 1071817720 /nfs/dbraw/zinc/81/77/20/1071817720.db2.gz NKHDNXFHNGCDFU-PXNSSMCTSA-N 1 0 441.598 0.906 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001541624733 1071817905 /nfs/dbraw/zinc/81/79/05/1071817905.db2.gz NKHDNXFHNGCDFU-XLIONFOSSA-N 1 0 441.598 0.906 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001541624737 1071817760 /nfs/dbraw/zinc/81/77/60/1071817760.db2.gz NKHDNXFHNGCDFU-YLJYHZDGSA-N 1 0 441.598 0.906 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 ZINC001541624884 1071817929 /nfs/dbraw/zinc/81/79/29/1071817929.db2.gz PQWRXSMKLYTZEK-KRWDZBQOSA-N 1 0 438.598 0.627 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 ZINC001541624885 1071818227 /nfs/dbraw/zinc/81/82/27/1071818227.db2.gz PQWRXSMKLYTZEK-QGZVFWFLSA-N 1 0 438.598 0.627 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001541625233 1071818011 /nfs/dbraw/zinc/81/80/11/1071818011.db2.gz UCBVDJGLHJAZQQ-KRWDZBQOSA-N 1 0 438.598 0.975 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001541625235 1071817688 /nfs/dbraw/zinc/81/76/88/1071817688.db2.gz UCBVDJGLHJAZQQ-QGZVFWFLSA-N 1 0 438.598 0.975 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541625386 1071818034 /nfs/dbraw/zinc/81/80/34/1071818034.db2.gz WRIJEDDWRCCIQZ-DLBZAZTESA-N 1 0 427.571 0.516 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541625389 1071817871 /nfs/dbraw/zinc/81/78/71/1071817871.db2.gz WRIJEDDWRCCIQZ-IAGOWNOFSA-N 1 0 427.571 0.516 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001541625552 1071818190 /nfs/dbraw/zinc/81/81/90/1071818190.db2.gz ZYSASASWKRHYCZ-KRWDZBQOSA-N 1 0 426.525 0.692 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001541625553 1071817853 /nfs/dbraw/zinc/81/78/53/1071817853.db2.gz ZYSASASWKRHYCZ-QGZVFWFLSA-N 1 0 426.525 0.692 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)CC1 ZINC001541625570 1071818066 /nfs/dbraw/zinc/81/80/66/1071818066.db2.gz QVVCZQAIMIOAGU-UHFFFAOYSA-N 1 0 426.587 0.756 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001541627302 1071818110 /nfs/dbraw/zinc/81/81/10/1071818110.db2.gz KTYQBPNCOUMFCT-HRAATJIYSA-N 1 0 429.525 0.996 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001541627303 1071817983 /nfs/dbraw/zinc/81/79/83/1071817983.db2.gz KTYQBPNCOUMFCT-IERDGZPVSA-N 1 0 429.525 0.996 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001541627304 1071817818 /nfs/dbraw/zinc/81/78/18/1071817818.db2.gz KTYQBPNCOUMFCT-IIBYNOLFSA-N 1 0 429.525 0.996 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001541627305 1071818251 /nfs/dbraw/zinc/81/82/51/1071818251.db2.gz KTYQBPNCOUMFCT-KKSFZXQISA-N 1 0 429.525 0.996 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)CC1 ZINC001541627666 1071818857 /nfs/dbraw/zinc/81/88/57/1071818857.db2.gz ZPJQHHLVGLPSSV-UHFFFAOYSA-N 1 0 426.525 0.982 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)CC1 ZINC001541628789 1071818832 /nfs/dbraw/zinc/81/88/32/1071818832.db2.gz OTHUIKHNPUTOEW-UHFFFAOYSA-N 1 0 439.542 0.085 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001541629182 1071819529 /nfs/dbraw/zinc/81/95/29/1071819529.db2.gz YJZNOGUKHMWEFH-INIZCTEOSA-N 1 0 442.586 0.056 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001541629185 1071819545 /nfs/dbraw/zinc/81/95/45/1071819545.db2.gz YJZNOGUKHMWEFH-MRXNPFEDSA-N 1 0 442.586 0.056 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001541629708 1071819724 /nfs/dbraw/zinc/81/97/24/1071819724.db2.gz WHMAQCYBHOUDLZ-KRWDZBQOSA-N 1 0 426.525 0.783 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 ZINC001541629719 1071819679 /nfs/dbraw/zinc/81/96/79/1071819679.db2.gz WTACATAOYLEUAH-UHFFFAOYSA-N 1 0 433.582 0.830 20 0 ICADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001541629957 1071819628 /nfs/dbraw/zinc/81/96/28/1071819628.db2.gz GGUAEXGQMFFGQZ-IBGZPJMESA-N 1 0 443.600 0.762 20 0 ICADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001541629958 1071819819 /nfs/dbraw/zinc/81/98/19/1071819819.db2.gz GGUAEXGQMFFGQZ-LJQANCHMSA-N 1 0 443.600 0.762 20 0 ICADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630008 1071819754 /nfs/dbraw/zinc/81/97/54/1071819754.db2.gz HZMYSYPNFGXJLN-MOPGFXCFSA-N 1 0 449.600 0.233 20 0 ICADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630009 1071819570 /nfs/dbraw/zinc/81/95/70/1071819570.db2.gz HZMYSYPNFGXJLN-OALUTQOASA-N 1 0 449.600 0.233 20 0 ICADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630010 1071819611 /nfs/dbraw/zinc/81/96/11/1071819611.db2.gz HZMYSYPNFGXJLN-RBUKOAKNSA-N 1 0 449.600 0.233 20 0 ICADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630011 1071819742 /nfs/dbraw/zinc/81/97/42/1071819742.db2.gz HZMYSYPNFGXJLN-RTBURBONSA-N 1 0 449.600 0.233 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2C)CC1 ZINC001541630114 1071819697 /nfs/dbraw/zinc/81/96/97/1071819697.db2.gz LREHYGRFUINYQU-UHFFFAOYSA-N 1 0 429.554 0.977 20 0 ICADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630511 1071819650 /nfs/dbraw/zinc/81/96/50/1071819650.db2.gz FZIKNIVANNIRDR-IBGZPJMESA-N 1 0 445.616 0.984 20 0 ICADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630517 1071819797 /nfs/dbraw/zinc/81/97/97/1071819797.db2.gz FZIKNIVANNIRDR-LJQANCHMSA-N 1 0 445.616 0.984 20 0 ICADRO CC(C)[NH+]1CCN(C2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)O)CC2)CC1 ZINC001541630550 1071820280 /nfs/dbraw/zinc/82/02/80/1071820280.db2.gz UHITWPNNBKJNRQ-GOSISDBHSA-N 1 0 433.601 0.995 20 0 ICADRO CC(C)[NH+]1CCN(C2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)(C)O)CC2)CC1 ZINC001541630551 1071820497 /nfs/dbraw/zinc/82/04/97/1071820497.db2.gz UHITWPNNBKJNRQ-SFHVURJKSA-N 1 0 433.601 0.995 20 0 ICADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccnc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541630808 1071820304 /nfs/dbraw/zinc/82/03/04/1071820304.db2.gz YLEYRCGOPTWGED-IBGZPJMESA-N 1 0 447.609 0.989 20 0 ICADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccnc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541630809 1071820239 /nfs/dbraw/zinc/82/02/39/1071820239.db2.gz YLEYRCGOPTWGED-LJQANCHMSA-N 1 0 447.609 0.989 20 0 ICADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541631053 1071820372 /nfs/dbraw/zinc/82/03/72/1071820372.db2.gz QIFJTYXHKRLVBX-QZTJIDSGSA-N 1 0 440.614 0.779 20 0 ICADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541631054 1071820440 /nfs/dbraw/zinc/82/04/40/1071820440.db2.gz QIFJTYXHKRLVBX-ZWKOTPCHSA-N 1 0 440.614 0.779 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)C(C)C)CC1 ZINC001541631648 1071821300 /nfs/dbraw/zinc/82/13/00/1071821300.db2.gz KKHSQASMRCDMHH-UHFFFAOYSA-N 1 0 444.584 0.797 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCCCC2)CC1 ZINC001541632033 1071821886 /nfs/dbraw/zinc/82/18/86/1071821886.db2.gz XXJVUSSJOZFXAH-UHFFFAOYSA-N 1 0 442.568 0.932 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001541632168 1071821847 /nfs/dbraw/zinc/82/18/47/1071821847.db2.gz CXZIBMBKIKOODT-UHFFFAOYSA-N 1 0 443.556 0.249 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001541632378 1071821906 /nfs/dbraw/zinc/82/19/06/1071821906.db2.gz JUWBQJRBUYDIGT-JOCHJYFZSA-N 1 0 447.584 0.176 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001541632379 1071821733 /nfs/dbraw/zinc/82/17/33/1071821733.db2.gz JUWBQJRBUYDIGT-QFIPXVFZSA-N 1 0 447.584 0.176 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541632385 1071821930 /nfs/dbraw/zinc/82/19/30/1071821930.db2.gz KATZWYABNPBYLT-DLBZAZTESA-N 1 0 435.573 0.643 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541632386 1071822573 /nfs/dbraw/zinc/82/25/73/1071822573.db2.gz KATZWYABNPBYLT-IAGOWNOFSA-N 1 0 435.573 0.643 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541632387 1071822354 /nfs/dbraw/zinc/82/23/54/1071822354.db2.gz KATZWYABNPBYLT-IRXDYDNUSA-N 1 0 435.573 0.643 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541632388 1071822590 /nfs/dbraw/zinc/82/25/90/1071822590.db2.gz KATZWYABNPBYLT-SJORKVTESA-N 1 0 435.573 0.643 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001541632722 1071822948 /nfs/dbraw/zinc/82/29/48/1071822948.db2.gz VDAUIPBPHDDYJV-JOCHJYFZSA-N 1 0 449.600 0.107 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001541632723 1071823064 /nfs/dbraw/zinc/82/30/64/1071823064.db2.gz VDAUIPBPHDDYJV-QFIPXVFZSA-N 1 0 449.600 0.107 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541632736 1071822933 /nfs/dbraw/zinc/82/29/33/1071822933.db2.gz VJRHBAIIHLMQAA-KRWDZBQOSA-N 1 0 442.568 0.387 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541632737 1071823122 /nfs/dbraw/zinc/82/31/22/1071823122.db2.gz VJRHBAIIHLMQAA-QGZVFWFLSA-N 1 0 442.568 0.387 20 0 ICADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001541634082 1071823714 /nfs/dbraw/zinc/82/37/14/1071823714.db2.gz ZMOQOAKXEOTBLC-QGZVFWFLSA-N 1 0 449.600 0.891 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541634372 1071824284 /nfs/dbraw/zinc/82/42/84/1071824284.db2.gz GNFKZXCSTKBOCX-CABCVRRESA-N 1 0 426.587 0.770 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541634373 1071824010 /nfs/dbraw/zinc/82/40/10/1071824010.db2.gz GNFKZXCSTKBOCX-GJZGRUSLSA-N 1 0 426.587 0.770 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541634374 1071824143 /nfs/dbraw/zinc/82/41/43/1071824143.db2.gz GNFKZXCSTKBOCX-HUUCEWRRSA-N 1 0 426.587 0.770 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541634375 1071824231 /nfs/dbraw/zinc/82/42/31/1071824231.db2.gz GNFKZXCSTKBOCX-LSDHHAIUSA-N 1 0 426.587 0.770 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001541636420 1071825023 /nfs/dbraw/zinc/82/50/23/1071825023.db2.gz GRMRIYNLNKODGA-GOSISDBHSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001541636421 1071824855 /nfs/dbraw/zinc/82/48/55/1071824855.db2.gz GRMRIYNLNKODGA-SFHVURJKSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccon2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541640406 1071826154 /nfs/dbraw/zinc/82/61/54/1071826154.db2.gz VIOFBDLWWVJKLL-KRWDZBQOSA-N 1 0 446.556 0.983 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccon2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541640407 1071826270 /nfs/dbraw/zinc/82/62/70/1071826270.db2.gz VIOFBDLWWVJKLL-QGZVFWFLSA-N 1 0 446.556 0.983 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001541645482 1071828255 /nfs/dbraw/zinc/82/82/55/1071828255.db2.gz JJEIFIXPAVIBNH-KRWDZBQOSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001541645483 1071828174 /nfs/dbraw/zinc/82/81/74/1071828174.db2.gz JJEIFIXPAVIBNH-QGZVFWFLSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001541650070 1071830104 /nfs/dbraw/zinc/83/01/04/1071830104.db2.gz SVFAVUXDYCKYFQ-ILXRZTDVSA-N 1 0 432.529 0.077 20 0 ICADRO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001541650071 1071830202 /nfs/dbraw/zinc/83/02/02/1071830202.db2.gz SVFAVUXDYCKYFQ-KFWWJZLASA-N 1 0 432.529 0.077 20 0 ICADRO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001541650072 1071830918 /nfs/dbraw/zinc/83/09/18/1071830918.db2.gz SVFAVUXDYCKYFQ-KKUMJFAQSA-N 1 0 432.529 0.077 20 0 ICADRO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001541650073 1071830782 /nfs/dbraw/zinc/83/07/82/1071830782.db2.gz SVFAVUXDYCKYFQ-ZNMIVQPWSA-N 1 0 432.529 0.077 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001541651123 1071830909 /nfs/dbraw/zinc/83/09/09/1071830909.db2.gz AKUVQMKCTAGWHV-KRWDZBQOSA-N 1 0 443.552 0.717 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001541651124 1071830935 /nfs/dbraw/zinc/83/09/35/1071830935.db2.gz AKUVQMKCTAGWHV-QGZVFWFLSA-N 1 0 443.552 0.717 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001541651944 1071831562 /nfs/dbraw/zinc/83/15/62/1071831562.db2.gz VLLOGNCGRNAZLG-GOSISDBHSA-N 1 0 425.537 0.786 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001541651945 1071831658 /nfs/dbraw/zinc/83/16/58/1071831658.db2.gz VLLOGNCGRNAZLG-SFHVURJKSA-N 1 0 425.537 0.786 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001541652498 1071831695 /nfs/dbraw/zinc/83/16/95/1071831695.db2.gz IVELDHMMZJNWPH-HOTGVXAUSA-N 1 0 435.573 0.617 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001541652499 1071831455 /nfs/dbraw/zinc/83/14/55/1071831455.db2.gz IVELDHMMZJNWPH-HZPDHXFCSA-N 1 0 435.573 0.617 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541652500 1071831595 /nfs/dbraw/zinc/83/15/95/1071831595.db2.gz IVELDHMMZJNWPH-IYBDPMFKSA-N 1 0 435.573 0.617 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001541654107 1071832468 /nfs/dbraw/zinc/83/24/68/1071832468.db2.gz UFNMJXFKKLGYIP-RBZFPXEDSA-N 1 0 434.545 0.181 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001541654108 1071832291 /nfs/dbraw/zinc/83/22/91/1071832291.db2.gz UFNMJXFKKLGYIP-RNODOKPDSA-N 1 0 434.545 0.181 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C)[NH+](C)C ZINC001541654109 1071832382 /nfs/dbraw/zinc/83/23/82/1071832382.db2.gz UFNMJXFKKLGYIP-XCLFUZPHSA-N 1 0 434.545 0.181 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C)[NH+](C)C ZINC001541654110 1071832370 /nfs/dbraw/zinc/83/23/70/1071832370.db2.gz UFNMJXFKKLGYIP-ZUOKHONESA-N 1 0 434.545 0.181 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC(=O)N1CCOCC1 ZINC001541656143 1071833614 /nfs/dbraw/zinc/83/36/14/1071833614.db2.gz WTPNIDSSNXABOD-UHFFFAOYSA-N 1 0 449.600 0.832 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1nncn1C ZINC001541656408 1071833755 /nfs/dbraw/zinc/83/37/55/1071833755.db2.gz FNXKSZPCNSJNFY-UHFFFAOYSA-N 1 0 431.545 0.142 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[NH+]1CCCC1 ZINC001541658135 1071835270 /nfs/dbraw/zinc/83/52/70/1071835270.db2.gz GRGUSJQYBLGTDQ-UHFFFAOYSA-N 1 0 432.573 0.896 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001541658389 1071835860 /nfs/dbraw/zinc/83/58/60/1071835860.db2.gz OICUOMKUFVRXCY-RBUKOAKNSA-N 1 0 449.600 0.436 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001541658390 1071835796 /nfs/dbraw/zinc/83/57/96/1071835796.db2.gz OICUOMKUFVRXCY-RTBURBONSA-N 1 0 449.600 0.436 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001541658423 1071835888 /nfs/dbraw/zinc/83/58/88/1071835888.db2.gz PHOHWJSEPFIUFB-UHFFFAOYSA-N 1 0 432.573 0.895 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCn1cc(CO)nn1 ZINC001541658614 1071835581 /nfs/dbraw/zinc/83/55/81/1071835581.db2.gz WANRQNVPBAQSAN-GOSISDBHSA-N 1 0 445.572 0.655 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCn1cc(CO)nn1 ZINC001541658615 1071835904 /nfs/dbraw/zinc/83/59/04/1071835904.db2.gz WANRQNVPBAQSAN-SFHVURJKSA-N 1 0 445.572 0.655 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCOCC[NH+](C)C ZINC001541659478 1071835203 /nfs/dbraw/zinc/83/52/03/1071835203.db2.gz YCPTXUUKCDQNKF-UHFFFAOYSA-N 1 0 436.479 0.888 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001541659748 1071836426 /nfs/dbraw/zinc/83/64/26/1071836426.db2.gz GULIPYIYHCUYNN-UHFFFAOYSA-N 1 0 435.573 0.763 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001541660142 1071837084 /nfs/dbraw/zinc/83/70/84/1071837084.db2.gz QUJPLSAFUZJEPQ-HNNXBMFYSA-N 1 0 426.587 0.914 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001541660143 1071836960 /nfs/dbraw/zinc/83/69/60/1071836960.db2.gz QUJPLSAFUZJEPQ-OAHLLOKOSA-N 1 0 426.587 0.914 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001541661270 1071838481 /nfs/dbraw/zinc/83/84/81/1071838481.db2.gz ZDCPTSUIYCCHSE-AWEZNQCLSA-N 1 0 446.556 0.420 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001541661271 1071838360 /nfs/dbraw/zinc/83/83/60/1071838360.db2.gz ZDCPTSUIYCCHSE-CQSZACIVSA-N 1 0 446.556 0.420 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001541661356 1071838499 /nfs/dbraw/zinc/83/84/99/1071838499.db2.gz BORUZSVXSNOZAH-NRFANRHFSA-N 1 0 447.584 0.368 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001541661357 1071838350 /nfs/dbraw/zinc/83/83/50/1071838350.db2.gz BORUZSVXSNOZAH-OAQYLSRUSA-N 1 0 447.584 0.368 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541661508 1071838405 /nfs/dbraw/zinc/83/84/05/1071838405.db2.gz HLFSJJKSYDYROV-JXFKEZNVSA-N 1 0 438.598 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541661509 1071838982 /nfs/dbraw/zinc/83/89/82/1071838982.db2.gz HLFSJJKSYDYROV-OXJNMPFZSA-N 1 0 438.598 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541661510 1071839007 /nfs/dbraw/zinc/83/90/07/1071839007.db2.gz HLFSJJKSYDYROV-OXQOHEQNSA-N 1 0 438.598 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541661511 1071838889 /nfs/dbraw/zinc/83/88/89/1071838889.db2.gz HLFSJJKSYDYROV-UZLBHIALSA-N 1 0 438.598 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001541663266 1071840243 /nfs/dbraw/zinc/84/02/43/1071840243.db2.gz HJVIBQRRZLYZKS-AWEZNQCLSA-N 1 0 428.541 0.555 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001541663267 1071840315 /nfs/dbraw/zinc/84/03/15/1071840315.db2.gz HJVIBQRRZLYZKS-CQSZACIVSA-N 1 0 428.541 0.555 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541663617 1071840785 /nfs/dbraw/zinc/84/07/85/1071840785.db2.gz NZNGWHMWXFZCRV-CABCVRRESA-N 1 0 436.513 0.641 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541663618 1071840848 /nfs/dbraw/zinc/84/08/48/1071840848.db2.gz NZNGWHMWXFZCRV-GJZGRUSLSA-N 1 0 436.513 0.641 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541663619 1071840680 /nfs/dbraw/zinc/84/06/80/1071840680.db2.gz NZNGWHMWXFZCRV-HUUCEWRRSA-N 1 0 436.513 0.641 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541663620 1071840838 /nfs/dbraw/zinc/84/08/38/1071840838.db2.gz NZNGWHMWXFZCRV-LSDHHAIUSA-N 1 0 436.513 0.641 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541663816 1071840691 /nfs/dbraw/zinc/84/06/91/1071840691.db2.gz RZJITYQPSONQQI-CVEARBPZSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541663817 1071840805 /nfs/dbraw/zinc/84/08/05/1071840805.db2.gz RZJITYQPSONQQI-HOTGVXAUSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541663818 1071840739 /nfs/dbraw/zinc/84/07/39/1071840739.db2.gz RZJITYQPSONQQI-HZPDHXFCSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541663819 1071840866 /nfs/dbraw/zinc/84/08/66/1071840866.db2.gz RZJITYQPSONQQI-JKSUJKDBSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC(C)(C)C[NH+](C)C ZINC001541663840 1071840713 /nfs/dbraw/zinc/84/07/13/1071840713.db2.gz SMQZRUVAIMJWGQ-UHFFFAOYSA-N 1 0 430.557 0.661 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC1([NH+](C)C)CCCC1 ZINC001541663844 1071840731 /nfs/dbraw/zinc/84/07/31/1071840731.db2.gz SOLVBMUFNUFRCM-UHFFFAOYSA-N 1 0 442.568 0.947 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCn1cc(CO)nn1 ZINC001541666415 1071842167 /nfs/dbraw/zinc/84/21/67/1071842167.db2.gz VVDKFJMQABJMDP-GOSISDBHSA-N 1 0 445.572 0.655 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCn1cc(CO)nn1 ZINC001541666416 1071842245 /nfs/dbraw/zinc/84/22/45/1071842245.db2.gz VVDKFJMQABJMDP-SFHVURJKSA-N 1 0 445.572 0.655 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541667781 1071842882 /nfs/dbraw/zinc/84/28/82/1071842882.db2.gz ZLTXUMJKTDJLAT-HRAATJIYSA-N 1 0 435.573 0.224 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541667782 1071842838 /nfs/dbraw/zinc/84/28/38/1071842838.db2.gz ZLTXUMJKTDJLAT-IERDGZPVSA-N 1 0 435.573 0.224 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541667783 1071842674 /nfs/dbraw/zinc/84/26/74/1071842674.db2.gz ZLTXUMJKTDJLAT-IIBYNOLFSA-N 1 0 435.573 0.224 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541667784 1071842626 /nfs/dbraw/zinc/84/26/26/1071842626.db2.gz ZLTXUMJKTDJLAT-KKSFZXQISA-N 1 0 435.573 0.224 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCOCCS(C)(=O)=O ZINC001541670234 1071843416 /nfs/dbraw/zinc/84/34/16/1071843416.db2.gz JTOYTQGJPOIBKO-UHFFFAOYSA-N 1 0 444.602 0.398 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCn1cc(CO)nn1 ZINC001541670321 1071843981 /nfs/dbraw/zinc/84/39/81/1071843981.db2.gz MZUCPNLEZGENSS-UHFFFAOYSA-N 1 0 447.588 0.901 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC(=O)N1CCOCC1 ZINC001541670415 1071844119 /nfs/dbraw/zinc/84/41/19/1071844119.db2.gz QPSPSYNSWLYIFU-UHFFFAOYSA-N 1 0 435.573 0.586 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCNS(C)(=O)=O ZINC001541670473 1071844260 /nfs/dbraw/zinc/84/42/60/1071844260.db2.gz SUMKGKBRYUZCSJ-UHFFFAOYSA-N 1 0 443.618 0.666 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001541671283 1071844741 /nfs/dbraw/zinc/84/47/41/1071844741.db2.gz XCIFPTZPMZRXIO-UHFFFAOYSA-N 1 0 426.587 0.916 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001541671310 1071844788 /nfs/dbraw/zinc/84/47/88/1071844788.db2.gz XWQJRQKXWWECST-UHFFFAOYSA-N 1 0 447.584 0.730 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001541672204 1071845394 /nfs/dbraw/zinc/84/53/94/1071845394.db2.gz FHYWAZWEIGHGEN-QZTJIDSGSA-N 1 0 447.584 0.586 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001541672219 1071845300 /nfs/dbraw/zinc/84/53/00/1071845300.db2.gz FQJXOWCGYGZMMX-KRWDZBQOSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001541672220 1071845517 /nfs/dbraw/zinc/84/55/17/1071845517.db2.gz FQJXOWCGYGZMMX-QGZVFWFLSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCCCCO ZINC001541672325 1071845437 /nfs/dbraw/zinc/84/54/37/1071845437.db2.gz JEVRVGHCIJCJNA-GOSISDBHSA-N 1 0 449.600 0.712 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCCCCO ZINC001541672326 1071845326 /nfs/dbraw/zinc/84/53/26/1071845326.db2.gz JEVRVGHCIJCJNA-SFHVURJKSA-N 1 0 449.600 0.712 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCCOC1 ZINC001541672385 1071845569 /nfs/dbraw/zinc/84/55/69/1071845569.db2.gz LHASYSPYBMATSY-GOSISDBHSA-N 1 0 447.584 0.587 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001541672386 1071845496 /nfs/dbraw/zinc/84/54/96/1071845496.db2.gz LHASYSPYBMATSY-SFHVURJKSA-N 1 0 447.584 0.587 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1nccs1 ZINC001541672567 1071846212 /nfs/dbraw/zinc/84/62/12/1071846212.db2.gz SBBHLEMYFFUXAG-HNNXBMFYSA-N 1 0 446.581 0.664 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1nccs1 ZINC001541672568 1071846338 /nfs/dbraw/zinc/84/63/38/1071846338.db2.gz SBBHLEMYFFUXAG-OAHLLOKOSA-N 1 0 446.581 0.664 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CCCC1 ZINC001541672683 1071846133 /nfs/dbraw/zinc/84/61/33/1071846133.db2.gz WIHDXEDPAONKBY-KRWDZBQOSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CCCC1 ZINC001541672684 1071846060 /nfs/dbraw/zinc/84/60/60/1071846060.db2.gz WIHDXEDPAONKBY-QGZVFWFLSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[C@@H]1CCOC1 ZINC001541672715 1071846384 /nfs/dbraw/zinc/84/63/84/1071846384.db2.gz WZWXDGFQCGBFAN-GOSISDBHSA-N 1 0 447.584 0.587 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[C@H]1CCOC1 ZINC001541672716 1071846246 /nfs/dbraw/zinc/84/62/46/1071846246.db2.gz WZWXDGFQCGBFAN-SFHVURJKSA-N 1 0 447.584 0.587 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCSC1 ZINC001541672787 1071846194 /nfs/dbraw/zinc/84/61/94/1071846194.db2.gz ZHHGQLPOSOTMHQ-KRWDZBQOSA-N 1 0 449.625 0.914 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCSC1 ZINC001541672788 1071846320 /nfs/dbraw/zinc/84/63/20/1071846320.db2.gz ZHHGQLPOSOTMHQ-QGZVFWFLSA-N 1 0 449.625 0.914 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCn1cc(CO)nn1 ZINC001541673230 1071846940 /nfs/dbraw/zinc/84/69/40/1071846940.db2.gz MFSKSGUIHUFXRE-UHFFFAOYSA-N 1 0 433.561 0.511 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[NH+]1CCCC1 ZINC001541673358 1071846838 /nfs/dbraw/zinc/84/68/38/1071846838.db2.gz PWMUOERQAWZJSH-KRWDZBQOSA-N 1 0 446.600 0.301 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[NH+]1CCCC1 ZINC001541673359 1071846899 /nfs/dbraw/zinc/84/68/99/1071846899.db2.gz PWMUOERQAWZJSH-QGZVFWFLSA-N 1 0 446.600 0.301 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCOCCS(C)(=O)=O ZINC001541673433 1071846859 /nfs/dbraw/zinc/84/68/59/1071846859.db2.gz RLPKQBNYWBECRB-UHFFFAOYSA-N 1 0 444.602 0.398 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(-n2cncn2)nc1 ZINC001541673503 1071847000 /nfs/dbraw/zinc/84/70/00/1071847000.db2.gz TXIQUNGFDTXBJK-UHFFFAOYSA-N 1 0 438.540 0.971 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541674628 1071848300 /nfs/dbraw/zinc/84/83/00/1071848300.db2.gz HOFARHQYMSANEH-JOCHJYFZSA-N 1 0 427.553 0.810 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541674629 1071848479 /nfs/dbraw/zinc/84/84/79/1071848479.db2.gz HOFARHQYMSANEH-QFIPXVFZSA-N 1 0 427.553 0.810 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CCC[NH+]1CCCC1 ZINC001541674946 1071848423 /nfs/dbraw/zinc/84/84/23/1071848423.db2.gz SLQWREHMPGVUID-UHFFFAOYSA-N 1 0 429.573 0.962 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001541675206 1071849193 /nfs/dbraw/zinc/84/91/93/1071849193.db2.gz CYUVREGHJDPZTA-UHFFFAOYSA-N 1 0 433.557 0.244 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001541675324 1071849092 /nfs/dbraw/zinc/84/90/92/1071849092.db2.gz HXXNTSVSUHHVND-KRWDZBQOSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001541675325 1071848972 /nfs/dbraw/zinc/84/89/72/1071848972.db2.gz HXXNTSVSUHHVND-QGZVFWFLSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001541675407 1071849688 /nfs/dbraw/zinc/84/96/88/1071849688.db2.gz KITZNEQEOHSLEK-UHFFFAOYSA-N 1 0 429.529 0.244 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541675788 1071849853 /nfs/dbraw/zinc/84/98/53/1071849853.db2.gz XRWULTGVUUVJSF-JOCHJYFZSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541675789 1071849584 /nfs/dbraw/zinc/84/95/84/1071849584.db2.gz XRWULTGVUUVJSF-QFIPXVFZSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001541675792 1071849908 /nfs/dbraw/zinc/84/99/08/1071849908.db2.gz XUKAARJSPIRTNT-UHFFFAOYSA-N 1 0 433.557 0.373 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001541675905 1071850536 /nfs/dbraw/zinc/85/05/36/1071850536.db2.gz ARQJMKREFNZBRF-UHFFFAOYSA-N 1 0 436.605 0.357 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001541676037 1071850577 /nfs/dbraw/zinc/85/05/77/1071850577.db2.gz GDLHBJIPYKYEOU-SJLPKXTDSA-N 1 0 436.557 0.521 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001541676049 1071850235 /nfs/dbraw/zinc/85/02/35/1071850235.db2.gz GMFFJKHKZTXSSN-UHFFFAOYSA-N 1 0 434.589 0.112 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCOCC[NH+](C)C ZINC001541676116 1071850630 /nfs/dbraw/zinc/85/06/30/1071850630.db2.gz IKZLUQQJDHXTPK-UHFFFAOYSA-N 1 0 435.495 0.679 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001541676407 1071851233 /nfs/dbraw/zinc/85/12/33/1071851233.db2.gz SPTBABDJFMPQFP-UHFFFAOYSA-N 1 0 434.589 0.111 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[NH+]1CCCCC1 ZINC001541676439 1071851079 /nfs/dbraw/zinc/85/10/79/1071851079.db2.gz UXBXSQOIEIDQBC-UHFFFAOYSA-N 1 0 446.600 0.303 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001541676780 1071851258 /nfs/dbraw/zinc/85/12/58/1071851258.db2.gz GFBYDLQGMAAJIU-BEIWTESXSA-N 1 0 438.598 0.486 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001541676781 1071851103 /nfs/dbraw/zinc/85/11/03/1071851103.db2.gz GFBYDLQGMAAJIU-DFYVNMARSA-N 1 0 438.598 0.486 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001541676782 1071851050 /nfs/dbraw/zinc/85/10/50/1071851050.db2.gz GFBYDLQGMAAJIU-JTBPQFFMSA-N 1 0 438.598 0.486 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001541676783 1071851192 /nfs/dbraw/zinc/85/11/92/1071851192.db2.gz GFBYDLQGMAAJIU-XHDOVSQSSA-N 1 0 438.598 0.486 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCn1cncn1 ZINC001541676877 1071851996 /nfs/dbraw/zinc/85/19/96/1071851996.db2.gz IKUXUPAINDQXKL-UHFFFAOYSA-N 1 0 431.545 0.257 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC(=O)N(C)C ZINC001541677124 1071851830 /nfs/dbraw/zinc/85/18/30/1071851830.db2.gz QBGYQVFDHTURTD-UHFFFAOYSA-N 1 0 449.600 0.833 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1Cc1nncn1C ZINC001541677264 1071852008 /nfs/dbraw/zinc/85/20/08/1071852008.db2.gz UTLIYBPGZAFZJQ-UHFFFAOYSA-N 1 0 437.552 0.958 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001541677439 1071852030 /nfs/dbraw/zinc/85/20/30/1071852030.db2.gz AISIEAQAFALCGF-HNNXBMFYSA-N 1 0 441.602 0.371 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(=O)N(C)C ZINC001541677491 1071852048 /nfs/dbraw/zinc/85/20/48/1071852048.db2.gz BUBQWCRONDWEAF-HDICACEKSA-N 1 0 448.616 0.499 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC(=O)N(C)C ZINC001541677492 1071852027 /nfs/dbraw/zinc/85/20/27/1071852027.db2.gz BUBQWCRONDWEAF-QZTJIDSGSA-N 1 0 448.616 0.499 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC(=O)N(C)C ZINC001541677493 1071851698 /nfs/dbraw/zinc/85/16/98/1071851698.db2.gz BUBQWCRONDWEAF-ROUUACIJSA-N 1 0 448.616 0.499 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541677737 1071852404 /nfs/dbraw/zinc/85/24/04/1071852404.db2.gz IEZFOLPKOSCRGP-AUUYWEPGSA-N 1 0 436.586 0.067 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541677738 1071852582 /nfs/dbraw/zinc/85/25/82/1071852582.db2.gz IEZFOLPKOSCRGP-IFXJQAMLSA-N 1 0 436.586 0.067 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541677739 1071852499 /nfs/dbraw/zinc/85/24/99/1071852499.db2.gz IEZFOLPKOSCRGP-KUHUBIRLSA-N 1 0 436.586 0.067 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541677740 1071852363 /nfs/dbraw/zinc/85/23/63/1071852363.db2.gz IEZFOLPKOSCRGP-LIRRHRJNSA-N 1 0 436.586 0.067 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541677902 1071853262 /nfs/dbraw/zinc/85/32/62/1071853262.db2.gz MLGAGCQXMHLVIN-BBWFWOEESA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541677903 1071853125 /nfs/dbraw/zinc/85/31/25/1071853125.db2.gz MLGAGCQXMHLVIN-IXDOHACOSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001541677904 1071853037 /nfs/dbraw/zinc/85/30/37/1071853037.db2.gz MLGAGCQXMHLVIN-ULQDDVLXSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001541677905 1071853304 /nfs/dbraw/zinc/85/33/04/1071853304.db2.gz MLGAGCQXMHLVIN-ZACQAIPSSA-N 1 0 449.556 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC1([NH+](C)C)CCCC1 ZINC001541677961 1071853296 /nfs/dbraw/zinc/85/32/96/1071853296.db2.gz NNTXBWOEOASUDN-INIZCTEOSA-N 1 0 432.573 0.847 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC1([NH+](C)C)CCCC1 ZINC001541677962 1071853349 /nfs/dbraw/zinc/85/33/49/1071853349.db2.gz NNTXBWOEOASUDN-MRXNPFEDSA-N 1 0 432.573 0.847 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001541678206 1071853919 /nfs/dbraw/zinc/85/39/19/1071853919.db2.gz UFTVHUNJMADLPU-DLBZAZTESA-N 1 0 432.573 0.895 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001541678207 1071853785 /nfs/dbraw/zinc/85/37/85/1071853785.db2.gz UFTVHUNJMADLPU-IAGOWNOFSA-N 1 0 432.573 0.895 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001541678208 1071853868 /nfs/dbraw/zinc/85/38/68/1071853868.db2.gz UFTVHUNJMADLPU-IRXDYDNUSA-N 1 0 432.573 0.895 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001541678209 1071853694 /nfs/dbraw/zinc/85/36/94/1071853694.db2.gz UFTVHUNJMADLPU-SJORKVTESA-N 1 0 432.573 0.895 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC1CCS(=O)(=O)CC1 ZINC001541679225 1071855356 /nfs/dbraw/zinc/85/53/56/1071855356.db2.gz UONVXORNUMQGPY-KRWDZBQOSA-N 1 0 438.598 0.916 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC1CCS(=O)(=O)CC1 ZINC001541679226 1071855221 /nfs/dbraw/zinc/85/52/21/1071855221.db2.gz UONVXORNUMQGPY-QGZVFWFLSA-N 1 0 438.598 0.916 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1CCOCC[NH+](C)C ZINC001541681524 1071856345 /nfs/dbraw/zinc/85/63/45/1071856345.db2.gz SKNZWXWKEONTAM-KRWDZBQOSA-N 1 0 434.545 0.306 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1CCOCC[NH+](C)C ZINC001541681525 1071856537 /nfs/dbraw/zinc/85/65/37/1071856537.db2.gz SKNZWXWKEONTAM-QGZVFWFLSA-N 1 0 434.545 0.306 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC[N@H+]1CC=CCC1 ZINC001541681564 1071856436 /nfs/dbraw/zinc/85/64/36/1071856436.db2.gz TXVDFSDHBHEISI-GOSISDBHSA-N 1 0 428.541 0.780 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC[N@H+]1CC=CCC1 ZINC001541681565 1071856241 /nfs/dbraw/zinc/85/62/41/1071856241.db2.gz TXVDFSDHBHEISI-SFHVURJKSA-N 1 0 428.541 0.780 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541682731 1071857064 /nfs/dbraw/zinc/85/70/64/1071857064.db2.gz UKCCGKRHWSTKIL-NRFANRHFSA-N 1 0 436.557 0.259 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541682732 1071857957 /nfs/dbraw/zinc/85/79/57/1071857957.db2.gz UKCCGKRHWSTKIL-OAQYLSRUSA-N 1 0 436.557 0.259 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCS(=O)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001541683074 1071857807 /nfs/dbraw/zinc/85/78/07/1071857807.db2.gz DUQILZXKKAQQJX-UHFFFAOYSA-N 1 0 448.593 0.974 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCCCC[NH+]1CCCC1 ZINC001541683752 1071858538 /nfs/dbraw/zinc/85/85/38/1071858538.db2.gz XLFPVOUIQRVCDX-UHFFFAOYSA-N 1 0 426.587 0.917 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541683901 1071858516 /nfs/dbraw/zinc/85/85/16/1071858516.db2.gz AWZIRKPHVYZNHC-CVEARBPZSA-N 1 0 449.556 0.462 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541683936 1071858736 /nfs/dbraw/zinc/85/87/36/1071858736.db2.gz BXINGZKUGZEXFF-KURKYZTESA-N 1 0 447.584 0.226 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541683937 1071858643 /nfs/dbraw/zinc/85/86/43/1071858643.db2.gz BXINGZKUGZEXFF-SQNIBIBYSA-N 1 0 447.584 0.226 20 0 ICADRO CC(C)NC(=O)c1nnc(Nc2cnn(C)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541685483 1071859831 /nfs/dbraw/zinc/85/98/31/1071859831.db2.gz HAYFBLIZGSWPGK-INIZCTEOSA-N 1 0 431.545 0.836 20 0 ICADRO CC(C)NC(=O)c1nnc(Nc2cnn(C)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541685484 1071859885 /nfs/dbraw/zinc/85/98/85/1071859885.db2.gz HAYFBLIZGSWPGK-MRXNPFEDSA-N 1 0 431.545 0.836 20 0 ICADRO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541688214 1071860783 /nfs/dbraw/zinc/86/07/83/1071860783.db2.gz SBLHRLWLGRVPMP-KRWDZBQOSA-N 1 0 428.541 0.808 20 0 ICADRO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541688215 1071860574 /nfs/dbraw/zinc/86/05/74/1071860574.db2.gz SBLHRLWLGRVPMP-QGZVFWFLSA-N 1 0 428.541 0.808 20 0 ICADRO CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001541689299 1071861895 /nfs/dbraw/zinc/86/18/95/1071861895.db2.gz UNHNJWJPYHGPKX-GOSISDBHSA-N 1 0 447.584 0.693 20 0 ICADRO CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001541689300 1071861915 /nfs/dbraw/zinc/86/19/15/1071861915.db2.gz UNHNJWJPYHGPKX-SFHVURJKSA-N 1 0 447.584 0.693 20 0 ICADRO CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001541690679 1071862842 /nfs/dbraw/zinc/86/28/42/1071862842.db2.gz KYEKKTGFILUHJE-GOSISDBHSA-N 1 0 431.585 0.888 20 0 ICADRO CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001541690680 1071862973 /nfs/dbraw/zinc/86/29/73/1071862973.db2.gz KYEKKTGFILUHJE-SFHVURJKSA-N 1 0 431.585 0.888 20 0 ICADRO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001541696832 1071865278 /nfs/dbraw/zinc/86/52/78/1071865278.db2.gz KSGURMWZRNTABQ-UHFFFAOYSA-N 1 0 447.584 0.587 20 0 ICADRO CC(C)NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCC(O)CC1 ZINC001541697102 1071865394 /nfs/dbraw/zinc/86/53/94/1071865394.db2.gz VTDDGAYANDYALC-UHFFFAOYSA-N 1 0 435.573 0.208 20 0 ICADRO CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001541697336 1071865321 /nfs/dbraw/zinc/86/53/21/1071865321.db2.gz FFCFPUKISABBHY-MRXNPFEDSA-N 1 0 435.573 0.630 20 0 ICADRO CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001541697903 1071865906 /nfs/dbraw/zinc/86/59/06/1071865906.db2.gz UTLPOTOTGZIFHG-UHFFFAOYSA-N 1 0 435.573 0.490 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001541699273 1071866085 /nfs/dbraw/zinc/86/60/85/1071866085.db2.gz OSOKLXOOMOAMEL-UHFFFAOYSA-N 1 0 438.540 0.976 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001541699628 1071866651 /nfs/dbraw/zinc/86/66/51/1071866651.db2.gz AQBFDIXZALRORC-UHFFFAOYSA-N 1 0 438.540 0.706 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001541699763 1071866605 /nfs/dbraw/zinc/86/66/05/1071866605.db2.gz GONXNXFYIYNLAC-MRXNPFEDSA-N 1 0 430.557 0.893 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001541699813 1071866768 /nfs/dbraw/zinc/86/67/68/1071866768.db2.gz HXGVXFXPTVTZKU-UHFFFAOYSA-N 1 0 428.541 0.808 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001541700158 1071866684 /nfs/dbraw/zinc/86/66/84/1071866684.db2.gz SVEHYIRDYMPWAO-UHFFFAOYSA-N 1 0 430.557 0.752 20 0 ICADRO CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001541700850 1071867325 /nfs/dbraw/zinc/86/73/25/1071867325.db2.gz LAIKPFXOVNRTMY-GOSISDBHSA-N 1 0 447.584 0.789 20 0 ICADRO CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001541700851 1071868178 /nfs/dbraw/zinc/86/81/78/1071868178.db2.gz LAIKPFXOVNRTMY-SFHVURJKSA-N 1 0 447.584 0.789 20 0 ICADRO CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001541701080 1071868074 /nfs/dbraw/zinc/86/80/74/1071868074.db2.gz PFVCLTLMUGVSCF-NVXWUHKLSA-N 1 0 433.557 0.443 20 0 ICADRO CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001541701081 1071868351 /nfs/dbraw/zinc/86/83/51/1071868351.db2.gz PFVCLTLMUGVSCF-WBVHZDCISA-N 1 0 433.557 0.443 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001541704201 1071870962 /nfs/dbraw/zinc/87/09/62/1071870962.db2.gz NNXITJJJSKRGHS-UHFFFAOYSA-N 1 0 448.616 0.549 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001541704658 1071871040 /nfs/dbraw/zinc/87/10/40/1071871040.db2.gz CTCFQHCUYKCRKC-JOCHJYFZSA-N 1 0 433.601 0.649 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001541704659 1071870894 /nfs/dbraw/zinc/87/08/94/1071870894.db2.gz CTCFQHCUYKCRKC-QFIPXVFZSA-N 1 0 433.601 0.649 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001541704674 1071871019 /nfs/dbraw/zinc/87/10/19/1071871019.db2.gz DEAJYSFGCYTGBP-KRWDZBQOSA-N 1 0 446.600 0.360 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001541704675 1071871663 /nfs/dbraw/zinc/87/16/63/1071871663.db2.gz DEAJYSFGCYTGBP-QGZVFWFLSA-N 1 0 446.600 0.360 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001541704854 1071871582 /nfs/dbraw/zinc/87/15/82/1071871582.db2.gz JFSFXUAXNGTRCG-MSOLQXFVSA-N 1 0 446.600 0.360 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001541704855 1071871726 /nfs/dbraw/zinc/87/17/26/1071871726.db2.gz JFSFXUAXNGTRCG-QZTJIDSGSA-N 1 0 446.600 0.360 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001541704856 1071871636 /nfs/dbraw/zinc/87/16/36/1071871636.db2.gz JFSFXUAXNGTRCG-ROUUACIJSA-N 1 0 446.600 0.360 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001541704857 1071871487 /nfs/dbraw/zinc/87/14/87/1071871487.db2.gz JFSFXUAXNGTRCG-ZWKOTPCHSA-N 1 0 446.600 0.360 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001541705081 1071872264 /nfs/dbraw/zinc/87/22/64/1071872264.db2.gz PYCRPVLONRATJW-UHFFFAOYSA-N 1 0 443.600 0.970 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(C3CC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001541705153 1071872180 /nfs/dbraw/zinc/87/21/80/1071872180.db2.gz RQKVRDXUMHUHOI-UHFFFAOYSA-N 1 0 433.601 0.913 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001541705266 1071872233 /nfs/dbraw/zinc/87/22/33/1071872233.db2.gz WOZSFWASDFCXPM-GOSISDBHSA-N 1 0 443.600 0.810 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001541705267 1071872385 /nfs/dbraw/zinc/87/23/85/1071872385.db2.gz WOZSFWASDFCXPM-SFHVURJKSA-N 1 0 443.600 0.810 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001541705707 1071873015 /nfs/dbraw/zinc/87/30/15/1071873015.db2.gz NHPGMASBHXHWEB-IBGZPJMESA-N 1 0 431.585 0.691 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001541705708 1071873102 /nfs/dbraw/zinc/87/31/02/1071873102.db2.gz NHPGMASBHXHWEB-LJQANCHMSA-N 1 0 431.585 0.691 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541707176 1071873570 /nfs/dbraw/zinc/87/35/70/1071873570.db2.gz JAYGKYHGSIKXKJ-HNNXBMFYSA-N 1 0 438.602 0.831 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541707177 1071873779 /nfs/dbraw/zinc/87/37/79/1071873779.db2.gz JAYGKYHGSIKXKJ-OAHLLOKOSA-N 1 0 438.602 0.831 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)N(C)C)CC1 ZINC001541707585 1071873694 /nfs/dbraw/zinc/87/36/94/1071873694.db2.gz VZROYTXUJVVDJV-HNNXBMFYSA-N 1 0 443.618 0.724 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)N(C)C)CC1 ZINC001541707586 1071873795 /nfs/dbraw/zinc/87/37/95/1071873795.db2.gz VZROYTXUJVVDJV-OAHLLOKOSA-N 1 0 443.618 0.724 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541707836 1071873710 /nfs/dbraw/zinc/87/37/10/1071873710.db2.gz FEOSRGPGRQWCSA-FQEVSTJZSA-N 1 0 434.566 0.857 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541707837 1071873600 /nfs/dbraw/zinc/87/36/00/1071873600.db2.gz FEOSRGPGRQWCSA-HXUWFJFHSA-N 1 0 434.566 0.857 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541708070 1071873578 /nfs/dbraw/zinc/87/35/78/1071873578.db2.gz NFSGPZFNHQXSKI-UHFFFAOYSA-N 1 0 426.529 0.799 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)CC1 ZINC001541708797 1071873807 /nfs/dbraw/zinc/87/38/07/1071873807.db2.gz KSEQBNQKYVZIDT-INIZCTEOSA-N 1 0 442.586 0.257 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)CC1 ZINC001541708798 1071873584 /nfs/dbraw/zinc/87/35/84/1071873584.db2.gz KSEQBNQKYVZIDT-MRXNPFEDSA-N 1 0 442.586 0.257 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541709752 1071873826 /nfs/dbraw/zinc/87/38/26/1071873826.db2.gz QQWFXEMRCYIFGJ-UHFFFAOYSA-N 1 0 443.556 0.520 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541710408 1071873739 /nfs/dbraw/zinc/87/37/39/1071873739.db2.gz MAQFSDZHWPOZCZ-KRWDZBQOSA-N 1 0 428.603 0.888 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541710409 1071874419 /nfs/dbraw/zinc/87/44/19/1071874419.db2.gz MAQFSDZHWPOZCZ-QGZVFWFLSA-N 1 0 428.603 0.888 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001541712042 1071875093 /nfs/dbraw/zinc/87/50/93/1071875093.db2.gz MROOKTOZIQUQNV-INIZCTEOSA-N 1 0 426.587 0.784 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001541712043 1071874974 /nfs/dbraw/zinc/87/49/74/1071874974.db2.gz MROOKTOZIQUQNV-MRXNPFEDSA-N 1 0 426.587 0.784 20 0 ICADRO CC(C)O[C@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541720311 1071878153 /nfs/dbraw/zinc/87/81/53/1071878153.db2.gz ZZUUYPMDDFIWGB-FCHUYYIVSA-N 1 0 445.568 0.854 20 0 ICADRO CC(C)O[C@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541720312 1071878212 /nfs/dbraw/zinc/87/82/12/1071878212.db2.gz ZZUUYPMDDFIWGB-FGZHOGPDSA-N 1 0 445.568 0.854 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541720313 1071878053 /nfs/dbraw/zinc/87/80/53/1071878053.db2.gz ZZUUYPMDDFIWGB-VXKWHMMOSA-N 1 0 445.568 0.854 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541720314 1071878069 /nfs/dbraw/zinc/87/80/69/1071878069.db2.gz ZZUUYPMDDFIWGB-YADHBBJMSA-N 1 0 445.568 0.854 20 0 ICADRO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001541757785 1071885713 /nfs/dbraw/zinc/88/57/13/1071885713.db2.gz JPARJIKPZYFFSE-GOSISDBHSA-N 1 0 447.584 0.682 20 0 ICADRO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001541757786 1071885811 /nfs/dbraw/zinc/88/58/11/1071885811.db2.gz JPARJIKPZYFFSE-SFHVURJKSA-N 1 0 447.584 0.682 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001541807879 1071891077 /nfs/dbraw/zinc/89/10/77/1071891077.db2.gz PVGXWEUAXQISLZ-KRWDZBQOSA-N 1 0 448.616 0.488 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001541807880 1071891201 /nfs/dbraw/zinc/89/12/01/1071891201.db2.gz PVGXWEUAXQISLZ-QGZVFWFLSA-N 1 0 448.616 0.488 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541809415 1071891777 /nfs/dbraw/zinc/89/17/77/1071891777.db2.gz WBFCFUWNADPTAF-KBXCAEBGSA-N 1 0 438.540 0.961 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541809416 1071891689 /nfs/dbraw/zinc/89/16/89/1071891689.db2.gz WBFCFUWNADPTAF-KDOFPFPSSA-N 1 0 438.540 0.961 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541809417 1071891860 /nfs/dbraw/zinc/89/18/60/1071891860.db2.gz WBFCFUWNADPTAF-KSSFIOAISA-N 1 0 438.540 0.961 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541809418 1071891786 /nfs/dbraw/zinc/89/17/86/1071891786.db2.gz WBFCFUWNADPTAF-RDTXWAMCSA-N 1 0 438.540 0.961 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809647 1071891749 /nfs/dbraw/zinc/89/17/49/1071891749.db2.gz AZHRGFIHLYVGCY-AEFFLSMTSA-N 1 0 444.584 0.926 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809648 1071891816 /nfs/dbraw/zinc/89/18/16/1071891816.db2.gz AZHRGFIHLYVGCY-FUHWJXTLSA-N 1 0 444.584 0.926 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809649 1071891733 /nfs/dbraw/zinc/89/17/33/1071891733.db2.gz AZHRGFIHLYVGCY-SJLPKXTDSA-N 1 0 444.584 0.926 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809650 1071891713 /nfs/dbraw/zinc/89/17/13/1071891713.db2.gz AZHRGFIHLYVGCY-WMZOPIPTSA-N 1 0 444.584 0.926 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809767 1071891880 /nfs/dbraw/zinc/89/18/80/1071891880.db2.gz DDKWZTRENBNBKQ-AEFFLSMTSA-N 1 0 442.568 0.983 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809768 1071892677 /nfs/dbraw/zinc/89/26/77/1071892677.db2.gz DDKWZTRENBNBKQ-FUHWJXTLSA-N 1 0 442.568 0.983 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809769 1071892535 /nfs/dbraw/zinc/89/25/35/1071892535.db2.gz DDKWZTRENBNBKQ-SJLPKXTDSA-N 1 0 442.568 0.983 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809770 1071892488 /nfs/dbraw/zinc/89/24/88/1071892488.db2.gz DDKWZTRENBNBKQ-WMZOPIPTSA-N 1 0 442.568 0.983 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541811685 1071893213 /nfs/dbraw/zinc/89/32/13/1071893213.db2.gz SDEQQWAAVJMATC-AOMKIAJQSA-N 1 0 438.536 0.898 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541811686 1071893148 /nfs/dbraw/zinc/89/31/48/1071893148.db2.gz SDEQQWAAVJMATC-KSFYIVLOSA-N 1 0 438.536 0.898 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541811687 1071893307 /nfs/dbraw/zinc/89/33/07/1071893307.db2.gz SDEQQWAAVJMATC-OPAMFIHVSA-N 1 0 438.536 0.898 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541811688 1071893224 /nfs/dbraw/zinc/89/32/24/1071893224.db2.gz SDEQQWAAVJMATC-ZHRRBRCNSA-N 1 0 438.536 0.898 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541812899 1071894070 /nfs/dbraw/zinc/89/40/70/1071894070.db2.gz LWOHWBMMZZDKBX-GLJUWKHASA-N 1 0 444.627 0.318 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541812900 1071894035 /nfs/dbraw/zinc/89/40/35/1071894035.db2.gz LWOHWBMMZZDKBX-HBUWYVDXSA-N 1 0 444.627 0.318 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541812901 1071893903 /nfs/dbraw/zinc/89/39/03/1071893903.db2.gz LWOHWBMMZZDKBX-LBTNJELSSA-N 1 0 444.627 0.318 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541812902 1071893770 /nfs/dbraw/zinc/89/37/70/1071893770.db2.gz LWOHWBMMZZDKBX-QWQRMKEZSA-N 1 0 444.627 0.318 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541814561 1071895028 /nfs/dbraw/zinc/89/50/28/1071895028.db2.gz QTYSVQOUWCKEOQ-KRWDZBQOSA-N 1 0 428.585 0.990 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541814562 1071895152 /nfs/dbraw/zinc/89/51/52/1071895152.db2.gz QTYSVQOUWCKEOQ-QGZVFWFLSA-N 1 0 428.585 0.990 20 0 ICADRO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCCC1 ZINC001541821479 1071895107 /nfs/dbraw/zinc/89/51/07/1071895107.db2.gz PWDLVVOJOGNBSH-AEFFLSMTSA-N 1 0 447.584 0.964 20 0 ICADRO C[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCCC1 ZINC001541821480 1071895505 /nfs/dbraw/zinc/89/55/05/1071895505.db2.gz PWDLVVOJOGNBSH-FUHWJXTLSA-N 1 0 447.584 0.964 20 0 ICADRO C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCCC1 ZINC001541821481 1071895716 /nfs/dbraw/zinc/89/57/16/1071895716.db2.gz PWDLVVOJOGNBSH-SJLPKXTDSA-N 1 0 447.584 0.964 20 0 ICADRO C[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCCC1 ZINC001541821482 1071895567 /nfs/dbraw/zinc/89/55/67/1071895567.db2.gz PWDLVVOJOGNBSH-WMZOPIPTSA-N 1 0 447.584 0.964 20 0 ICADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001541833319 1071895534 /nfs/dbraw/zinc/89/55/34/1071895534.db2.gz CQZKOHQJIRKJNI-AWEZNQCLSA-N 1 0 430.513 0.346 20 0 ICADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001541833320 1071895492 /nfs/dbraw/zinc/89/54/92/1071895492.db2.gz CQZKOHQJIRKJNI-CQSZACIVSA-N 1 0 430.513 0.346 20 0 ICADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC001541833681 1071895760 /nfs/dbraw/zinc/89/57/60/1071895760.db2.gz JWRWZGRAUDFSSM-KRWDZBQOSA-N 1 0 425.537 0.971 20 0 ICADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC001541833682 1071895596 /nfs/dbraw/zinc/89/55/96/1071895596.db2.gz JWRWZGRAUDFSSM-QGZVFWFLSA-N 1 0 425.537 0.971 20 0 ICADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC001541834135 1071895544 /nfs/dbraw/zinc/89/55/44/1071895544.db2.gz SJUTZTAUXNYUMJ-INIZCTEOSA-N 1 0 436.524 0.992 20 0 ICADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC001541834136 1071895646 /nfs/dbraw/zinc/89/56/46/1071895646.db2.gz SJUTZTAUXNYUMJ-MRXNPFEDSA-N 1 0 436.524 0.992 20 0 ICADRO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+](C)C ZINC001541837253 1071896194 /nfs/dbraw/zinc/89/61/94/1071896194.db2.gz WUAVXARQXKLQOX-CABCVRRESA-N 1 0 434.566 0.966 20 0 ICADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+](C)C ZINC001541837254 1071896221 /nfs/dbraw/zinc/89/62/21/1071896221.db2.gz WUAVXARQXKLQOX-GJZGRUSLSA-N 1 0 434.566 0.966 20 0 ICADRO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+](C)C ZINC001541837255 1071896262 /nfs/dbraw/zinc/89/62/62/1071896262.db2.gz WUAVXARQXKLQOX-HUUCEWRRSA-N 1 0 434.566 0.966 20 0 ICADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+](C)C ZINC001541837256 1071896347 /nfs/dbraw/zinc/89/63/47/1071896347.db2.gz WUAVXARQXKLQOX-LSDHHAIUSA-N 1 0 434.566 0.966 20 0 ICADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541839139 1071896288 /nfs/dbraw/zinc/89/62/88/1071896288.db2.gz JHTFMJYXMVIJCD-GXTWGEPZSA-N 1 0 432.916 0.091 20 0 ICADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541839140 1071896456 /nfs/dbraw/zinc/89/64/56/1071896456.db2.gz JHTFMJYXMVIJCD-JSGCOSHPSA-N 1 0 432.916 0.091 20 0 ICADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541839141 1071896242 /nfs/dbraw/zinc/89/62/42/1071896242.db2.gz JHTFMJYXMVIJCD-OCCSQVGLSA-N 1 0 432.916 0.091 20 0 ICADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541839142 1071896179 /nfs/dbraw/zinc/89/61/79/1071896179.db2.gz JHTFMJYXMVIJCD-TZMCWYRMSA-N 1 0 432.916 0.091 20 0 ICADRO C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001541839477 1071896474 /nfs/dbraw/zinc/89/64/74/1071896474.db2.gz PPDIJZPHVJTWDW-INIZCTEOSA-N 1 0 444.536 0.961 20 0 ICADRO C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001541839478 1071896229 /nfs/dbraw/zinc/89/62/29/1071896229.db2.gz PPDIJZPHVJTWDW-MRXNPFEDSA-N 1 0 444.536 0.961 20 0 ICADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541845391 1071896937 /nfs/dbraw/zinc/89/69/37/1071896937.db2.gz DZYBZJXKAHKAFW-GOSISDBHSA-N 1 0 441.584 0.820 20 0 ICADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541845392 1071896842 /nfs/dbraw/zinc/89/68/42/1071896842.db2.gz DZYBZJXKAHKAFW-SFHVURJKSA-N 1 0 441.584 0.820 20 0 ICADRO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541846551 1071896894 /nfs/dbraw/zinc/89/68/94/1071896894.db2.gz ATFCIRADKDVXBI-CYBMUJFWSA-N 1 0 438.554 0.969 20 0 ICADRO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541846552 1071897049 /nfs/dbraw/zinc/89/70/49/1071897049.db2.gz ATFCIRADKDVXBI-ZDUSSCGKSA-N 1 0 438.554 0.969 20 0 ICADRO C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001541847111 1071896870 /nfs/dbraw/zinc/89/68/70/1071896870.db2.gz NJZKLNXFBWWTGO-AWEZNQCLSA-N 1 0 439.611 0.757 20 0 ICADRO C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001541847112 1071897000 /nfs/dbraw/zinc/89/70/00/1071897000.db2.gz NJZKLNXFBWWTGO-CQSZACIVSA-N 1 0 439.611 0.757 20 0 ICADRO C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001541847297 1071897141 /nfs/dbraw/zinc/89/71/41/1071897141.db2.gz QYTHXEBHOYOCGD-CYBMUJFWSA-N 1 0 448.553 0.529 20 0 ICADRO C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001541847298 1071896823 /nfs/dbraw/zinc/89/68/23/1071896823.db2.gz QYTHXEBHOYOCGD-ZDUSSCGKSA-N 1 0 448.553 0.529 20 0 ICADRO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O)[NH+](C)C ZINC001541847303 1071897115 /nfs/dbraw/zinc/89/71/15/1071897115.db2.gz RBLBDGKJMHQZCE-CYBMUJFWSA-N 1 0 426.543 0.827 20 0 ICADRO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O)[NH+](C)C ZINC001541847304 1071897249 /nfs/dbraw/zinc/89/72/49/1071897249.db2.gz RBLBDGKJMHQZCE-ZDUSSCGKSA-N 1 0 426.543 0.827 20 0 ICADRO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001541847529 1071897209 /nfs/dbraw/zinc/89/72/09/1071897209.db2.gz VKVZTBCHUWPERA-CABCVRRESA-N 1 0 438.536 0.809 20 0 ICADRO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001541847530 1071897240 /nfs/dbraw/zinc/89/72/40/1071897240.db2.gz VKVZTBCHUWPERA-GJZGRUSLSA-N 1 0 438.536 0.809 20 0 ICADRO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001541847531 1071896929 /nfs/dbraw/zinc/89/69/29/1071896929.db2.gz VKVZTBCHUWPERA-HUUCEWRRSA-N 1 0 438.536 0.809 20 0 ICADRO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001541847532 1071896830 /nfs/dbraw/zinc/89/68/30/1071896830.db2.gz VKVZTBCHUWPERA-LSDHHAIUSA-N 1 0 438.536 0.809 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541852469 1071898477 /nfs/dbraw/zinc/89/84/77/1071898477.db2.gz UCIZYIDCWRBIBJ-MOPGFXCFSA-N 1 0 449.600 0.451 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541852470 1071898452 /nfs/dbraw/zinc/89/84/52/1071898452.db2.gz UCIZYIDCWRBIBJ-OALUTQOASA-N 1 0 449.600 0.451 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541852471 1071898344 /nfs/dbraw/zinc/89/83/44/1071898344.db2.gz UCIZYIDCWRBIBJ-RBUKOAKNSA-N 1 0 449.600 0.451 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541852472 1071898300 /nfs/dbraw/zinc/89/83/00/1071898300.db2.gz UCIZYIDCWRBIBJ-RTBURBONSA-N 1 0 449.600 0.451 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541853127 1071898394 /nfs/dbraw/zinc/89/83/94/1071898394.db2.gz CFARCSWXKOTVOE-AEFFLSMTSA-N 1 0 442.568 0.943 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541853128 1071898357 /nfs/dbraw/zinc/89/83/57/1071898357.db2.gz CFARCSWXKOTVOE-FUHWJXTLSA-N 1 0 442.568 0.943 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541853129 1071898469 /nfs/dbraw/zinc/89/84/69/1071898469.db2.gz CFARCSWXKOTVOE-SJLPKXTDSA-N 1 0 442.568 0.943 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541853130 1071898491 /nfs/dbraw/zinc/89/84/91/1071898491.db2.gz CFARCSWXKOTVOE-WMZOPIPTSA-N 1 0 442.568 0.943 20 0 ICADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001541853505 1071898277 /nfs/dbraw/zinc/89/82/77/1071898277.db2.gz IRISVWUXWFYPLS-CVEARBPZSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001541853506 1071898310 /nfs/dbraw/zinc/89/83/10/1071898310.db2.gz IRISVWUXWFYPLS-HOTGVXAUSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001541853507 1071898497 /nfs/dbraw/zinc/89/84/97/1071898497.db2.gz IRISVWUXWFYPLS-HZPDHXFCSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001541853508 1071898290 /nfs/dbraw/zinc/89/82/90/1071898290.db2.gz IRISVWUXWFYPLS-JKSUJKDBSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1)[NH+](C)C ZINC001541853555 1071898371 /nfs/dbraw/zinc/89/83/71/1071898371.db2.gz JHNMFRLYZPFNCR-INIZCTEOSA-N 1 0 448.597 0.637 20 0 ICADRO C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1)[NH+](C)C ZINC001541853556 1071898423 /nfs/dbraw/zinc/89/84/23/1071898423.db2.gz JHNMFRLYZPFNCR-MRXNPFEDSA-N 1 0 448.597 0.637 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541854637 1071898246 /nfs/dbraw/zinc/89/82/46/1071898246.db2.gz XFCTXUUTJZFSRH-MOPGFXCFSA-N 1 0 449.600 0.103 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541854638 1071898411 /nfs/dbraw/zinc/89/84/11/1071898411.db2.gz XFCTXUUTJZFSRH-OALUTQOASA-N 1 0 449.600 0.103 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541854639 1071898322 /nfs/dbraw/zinc/89/83/22/1071898322.db2.gz XFCTXUUTJZFSRH-RBUKOAKNSA-N 1 0 449.600 0.103 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541854640 1071898263 /nfs/dbraw/zinc/89/82/63/1071898263.db2.gz XFCTXUUTJZFSRH-RTBURBONSA-N 1 0 449.600 0.103 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541854745 1071898513 /nfs/dbraw/zinc/89/85/13/1071898513.db2.gz YKYAEBRDTROMAH-DOTOQJQBSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541854746 1071898916 /nfs/dbraw/zinc/89/89/16/1071898916.db2.gz YKYAEBRDTROMAH-NVXWUHKLSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541854747 1071899006 /nfs/dbraw/zinc/89/90/06/1071899006.db2.gz YKYAEBRDTROMAH-RDJZCZTQSA-N 1 0 428.541 0.553 20 0 ICADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001541854748 1071898872 /nfs/dbraw/zinc/89/88/72/1071898872.db2.gz YKYAEBRDTROMAH-WBVHZDCISA-N 1 0 428.541 0.553 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001541855031 1071899033 /nfs/dbraw/zinc/89/90/33/1071899033.db2.gz BSCOGZZJNFBDGF-KBPBESRZSA-N 1 0 436.529 0.797 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001541855032 1071898973 /nfs/dbraw/zinc/89/89/73/1071898973.db2.gz BSCOGZZJNFBDGF-KGLIPLIRSA-N 1 0 436.529 0.797 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001541855033 1071898855 /nfs/dbraw/zinc/89/88/55/1071898855.db2.gz BSCOGZZJNFBDGF-UONOGXRCSA-N 1 0 436.529 0.797 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001541855034 1071898881 /nfs/dbraw/zinc/89/88/81/1071898881.db2.gz BSCOGZZJNFBDGF-ZIAGYGMSSA-N 1 0 436.529 0.797 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@H+](C)C1CC1 ZINC001541855339 1071899553 /nfs/dbraw/zinc/89/95/53/1071899553.db2.gz HPLVHQAWYIYVKZ-JHNDHUHGSA-N 1 0 444.577 0.888 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@H+](C)C1CC1 ZINC001541855340 1071899469 /nfs/dbraw/zinc/89/94/69/1071899469.db2.gz HPLVHQAWYIYVKZ-OHFALNGGSA-N 1 0 444.577 0.888 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@H+](C)C1CC1 ZINC001541855341 1071899718 /nfs/dbraw/zinc/89/97/18/1071899718.db2.gz HPLVHQAWYIYVKZ-TXCZRRACSA-N 1 0 444.577 0.888 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@H+](C)C1CC1 ZINC001541855342 1071899849 /nfs/dbraw/zinc/89/98/49/1071899849.db2.gz HPLVHQAWYIYVKZ-YQFWSFKMSA-N 1 0 444.577 0.888 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001541855343 1071899658 /nfs/dbraw/zinc/89/96/58/1071899658.db2.gz HQDKTZBSPLGDIJ-CVEARBPZSA-N 1 0 434.570 0.247 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001541855344 1071899588 /nfs/dbraw/zinc/89/95/88/1071899588.db2.gz HQDKTZBSPLGDIJ-HOTGVXAUSA-N 1 0 434.570 0.247 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001541855345 1071899932 /nfs/dbraw/zinc/89/99/32/1071899932.db2.gz HQDKTZBSPLGDIJ-HZPDHXFCSA-N 1 0 434.570 0.247 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001541855346 1071899822 /nfs/dbraw/zinc/89/98/22/1071899822.db2.gz HQDKTZBSPLGDIJ-JKSUJKDBSA-N 1 0 434.570 0.247 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001541855351 1071899875 /nfs/dbraw/zinc/89/98/75/1071899875.db2.gz HSGITRMMKNTRGK-DLBZAZTESA-N 1 0 442.630 0.677 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001541855352 1071899777 /nfs/dbraw/zinc/89/97/77/1071899777.db2.gz HSGITRMMKNTRGK-IAGOWNOFSA-N 1 0 442.630 0.677 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001541855353 1071899452 /nfs/dbraw/zinc/89/94/52/1071899452.db2.gz HSGITRMMKNTRGK-IRXDYDNUSA-N 1 0 442.630 0.677 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001541855354 1071899427 /nfs/dbraw/zinc/89/94/27/1071899427.db2.gz HSGITRMMKNTRGK-SJORKVTESA-N 1 0 442.630 0.677 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@H+](C)C1CC1 ZINC001541855529 1071899800 /nfs/dbraw/zinc/89/98/00/1071899800.db2.gz JSXDBBGUVRHDDR-PBHICJAKSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@H+](C)C1CC1 ZINC001541855530 1071899752 /nfs/dbraw/zinc/89/97/52/1071899752.db2.gz JSXDBBGUVRHDDR-RHSMWYFYSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@H+](C)C1CC1 ZINC001541855531 1071899535 /nfs/dbraw/zinc/89/95/35/1071899535.db2.gz JSXDBBGUVRHDDR-WMLDXEAASA-N 1 0 426.587 0.940 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@H+](C)C1CC1 ZINC001541855532 1071899687 /nfs/dbraw/zinc/89/96/87/1071899687.db2.gz JSXDBBGUVRHDDR-YOEHRIQHSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001541855723 1071900366 /nfs/dbraw/zinc/90/03/66/1071900366.db2.gz LZWNPXNXJJFNOD-BRWVUGGUSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001541855724 1071900409 /nfs/dbraw/zinc/90/04/09/1071900409.db2.gz LZWNPXNXJJFNOD-IKGGRYGDSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001541855725 1071900279 /nfs/dbraw/zinc/90/02/79/1071900279.db2.gz LZWNPXNXJJFNOD-IXDOHACOSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001541855726 1071900221 /nfs/dbraw/zinc/90/02/21/1071900221.db2.gz LZWNPXNXJJFNOD-ZACQAIPSSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)[NH+](C)C ZINC001541856339 1071900272 /nfs/dbraw/zinc/90/02/72/1071900272.db2.gz UTMXDAVJZBOTQZ-NCOADZHNSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)[NH+](C)C ZINC001541856340 1071900256 /nfs/dbraw/zinc/90/02/56/1071900256.db2.gz UTMXDAVJZBOTQZ-VVLHAWIVSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)[NH+](C)C ZINC001541856341 1071900334 /nfs/dbraw/zinc/90/03/34/1071900334.db2.gz UTMXDAVJZBOTQZ-WCXIOVBPSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)[NH+](C)C ZINC001541856342 1071900381 /nfs/dbraw/zinc/90/03/81/1071900381.db2.gz UTMXDAVJZBOTQZ-YVSFHVDLSA-N 1 0 426.587 0.940 20 0 ICADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541858757 1071900855 /nfs/dbraw/zinc/90/08/55/1071900855.db2.gz NFRHHSWGAPWREA-PBHICJAKSA-N 1 0 429.500 0.105 20 0 ICADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541858758 1071900775 /nfs/dbraw/zinc/90/07/75/1071900775.db2.gz NFRHHSWGAPWREA-RHSMWYFYSA-N 1 0 429.500 0.105 20 0 ICADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541858759 1071900850 /nfs/dbraw/zinc/90/08/50/1071900850.db2.gz NFRHHSWGAPWREA-WMLDXEAASA-N 1 0 429.500 0.105 20 0 ICADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541858760 1071900768 /nfs/dbraw/zinc/90/07/68/1071900768.db2.gz NFRHHSWGAPWREA-YOEHRIQHSA-N 1 0 429.500 0.105 20 0 ICADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541860865 1071900761 /nfs/dbraw/zinc/90/07/61/1071900761.db2.gz CVCPPVBTFTWDEV-BEFAXECRSA-N 1 0 440.552 0.981 20 0 ICADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541860866 1071900798 /nfs/dbraw/zinc/90/07/98/1071900798.db2.gz CVCPPVBTFTWDEV-DNVCBOLYSA-N 1 0 440.552 0.981 20 0 ICADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541860867 1071900866 /nfs/dbraw/zinc/90/08/66/1071900866.db2.gz CVCPPVBTFTWDEV-HNAYVOBHSA-N 1 0 440.552 0.981 20 0 ICADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541860868 1071900790 /nfs/dbraw/zinc/90/07/90/1071900790.db2.gz CVCPPVBTFTWDEV-KXBFYZLASA-N 1 0 440.552 0.981 20 0 ICADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001541861271 1071900778 /nfs/dbraw/zinc/90/07/78/1071900778.db2.gz KRQJYLHPBFEQNT-GOSISDBHSA-N 1 0 442.568 0.788 20 0 ICADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001541861272 1071900815 /nfs/dbraw/zinc/90/08/15/1071900815.db2.gz KRQJYLHPBFEQNT-SFHVURJKSA-N 1 0 442.568 0.788 20 0 ICADRO C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001541861745 1071900817 /nfs/dbraw/zinc/90/08/17/1071900817.db2.gz URYODCFYOLBCPL-KRWDZBQOSA-N 1 0 440.552 0.762 20 0 ICADRO C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001541861746 1071901513 /nfs/dbraw/zinc/90/15/13/1071901513.db2.gz URYODCFYOLBCPL-QGZVFWFLSA-N 1 0 440.552 0.762 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541865293 1071901366 /nfs/dbraw/zinc/90/13/66/1071901366.db2.gz MVUQUVRVQXMCJN-KBXCAEBGSA-N 1 0 446.556 0.117 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541865294 1071901355 /nfs/dbraw/zinc/90/13/55/1071901355.db2.gz MVUQUVRVQXMCJN-KDOFPFPSSA-N 1 0 446.556 0.117 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541865295 1071901481 /nfs/dbraw/zinc/90/14/81/1071901481.db2.gz MVUQUVRVQXMCJN-KSSFIOAISA-N 1 0 446.556 0.117 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001541865296 1071901543 /nfs/dbraw/zinc/90/15/43/1071901543.db2.gz MVUQUVRVQXMCJN-RDTXWAMCSA-N 1 0 446.556 0.117 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001541865693 1071902049 /nfs/dbraw/zinc/90/20/49/1071902049.db2.gz VCVSGDJCRZPLGY-HNNXBMFYSA-N 1 0 441.602 0.211 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001541865694 1071901989 /nfs/dbraw/zinc/90/19/89/1071901989.db2.gz VCVSGDJCRZPLGY-OAHLLOKOSA-N 1 0 441.602 0.211 20 0 ICADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541866937 1071902002 /nfs/dbraw/zinc/90/20/02/1071902002.db2.gz SMZVCYAIKCYKHV-GDBMZVCRSA-N 1 0 445.499 0.093 20 0 ICADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541866938 1071901962 /nfs/dbraw/zinc/90/19/62/1071901962.db2.gz SMZVCYAIKCYKHV-GOEBONIOSA-N 1 0 445.499 0.093 20 0 ICADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541866939 1071902111 /nfs/dbraw/zinc/90/21/11/1071902111.db2.gz SMZVCYAIKCYKHV-HOCLYGCPSA-N 1 0 445.499 0.093 20 0 ICADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541866940 1071901994 /nfs/dbraw/zinc/90/19/94/1071901994.db2.gz SMZVCYAIKCYKHV-ZBFHGGJFSA-N 1 0 445.499 0.093 20 0 ICADRO C[C@@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001541868403 1071901925 /nfs/dbraw/zinc/90/19/25/1071901925.db2.gz WCBDCWYWENTIBH-HNNXBMFYSA-N 1 0 431.585 0.986 20 0 ICADRO C[C@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001541868404 1071901939 /nfs/dbraw/zinc/90/19/39/1071901939.db2.gz WCBDCWYWENTIBH-OAHLLOKOSA-N 1 0 431.585 0.986 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541870123 1071902084 /nfs/dbraw/zinc/90/20/84/1071902084.db2.gz DUTPEBCFIDPERG-QZTJIDSGSA-N 1 0 435.573 0.061 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541870124 1071902105 /nfs/dbraw/zinc/90/21/05/1071902105.db2.gz DUTPEBCFIDPERG-ZWKOTPCHSA-N 1 0 435.573 0.061 20 0 ICADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2OCO[C@H]2C1)C[NH+]1CCCC1 ZINC001541871795 1071902561 /nfs/dbraw/zinc/90/25/61/1071902561.db2.gz LPISLSFWKYKVEW-FPCVCCKLSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2OCO[C@H]2C1)C[NH+]1CCCC1 ZINC001541871796 1071902600 /nfs/dbraw/zinc/90/26/00/1071902600.db2.gz LPISLSFWKYKVEW-QXSJWSMHSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001541871797 1071902474 /nfs/dbraw/zinc/90/24/74/1071902474.db2.gz LPISLSFWKYKVEW-XUWVNRHRSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2OCO[C@H]2C1)C[NH+]1CCCC1 ZINC001541871798 1071902542 /nfs/dbraw/zinc/90/25/42/1071902542.db2.gz LPISLSFWKYKVEW-YHUYYLMFSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC001541872989 1071902578 /nfs/dbraw/zinc/90/25/78/1071902578.db2.gz IAOVQKIJONJHGE-BZUAXINKSA-N 1 0 426.587 0.830 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC001541872990 1071902546 /nfs/dbraw/zinc/90/25/46/1071902546.db2.gz IAOVQKIJONJHGE-OAGGEKHMSA-N 1 0 426.587 0.830 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC001541872991 1071902440 /nfs/dbraw/zinc/90/24/40/1071902440.db2.gz IAOVQKIJONJHGE-OWCLPIDISA-N 1 0 426.587 0.830 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC001541872992 1071902496 /nfs/dbraw/zinc/90/24/96/1071902496.db2.gz IAOVQKIJONJHGE-PMPSAXMXSA-N 1 0 426.587 0.830 20 0 ICADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001541873121 1071902523 /nfs/dbraw/zinc/90/25/23/1071902523.db2.gz KBKRZBLAPHCOET-KRWDZBQOSA-N 1 0 448.597 0.939 20 0 ICADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001541873122 1071902587 /nfs/dbraw/zinc/90/25/87/1071902587.db2.gz KBKRZBLAPHCOET-QGZVFWFLSA-N 1 0 448.597 0.939 20 0 ICADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCCC1 ZINC001541873405 1071902528 /nfs/dbraw/zinc/90/25/28/1071902528.db2.gz OBLVJWUKCATWJJ-INIZCTEOSA-N 1 0 428.541 0.938 20 0 ICADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCCC1 ZINC001541873406 1071902597 /nfs/dbraw/zinc/90/25/97/1071902597.db2.gz OBLVJWUKCATWJJ-MRXNPFEDSA-N 1 0 428.541 0.938 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001541874385 1071902519 /nfs/dbraw/zinc/90/25/19/1071902519.db2.gz FIJFJBQMOCDADY-DLBZAZTESA-N 1 0 426.587 0.943 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001541874386 1071902457 /nfs/dbraw/zinc/90/24/57/1071902457.db2.gz FIJFJBQMOCDADY-IAGOWNOFSA-N 1 0 426.587 0.943 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC001541875171 1071902485 /nfs/dbraw/zinc/90/24/85/1071902485.db2.gz SQKPWMHJHWGROF-DLBZAZTESA-N 1 0 438.598 0.756 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC001541875172 1071902449 /nfs/dbraw/zinc/90/24/49/1071902449.db2.gz SQKPWMHJHWGROF-IAGOWNOFSA-N 1 0 438.598 0.756 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC001541875173 1071902566 /nfs/dbraw/zinc/90/25/66/1071902566.db2.gz SQKPWMHJHWGROF-IRXDYDNUSA-N 1 0 438.598 0.756 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C[NH+]1CCCC1 ZINC001541875174 1071902538 /nfs/dbraw/zinc/90/25/38/1071902538.db2.gz SQKPWMHJHWGROF-SJORKVTESA-N 1 0 438.598 0.756 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCCCC1 ZINC001541876259 1071902510 /nfs/dbraw/zinc/90/25/10/1071902510.db2.gz NLXPIDXJWCIFHH-AEFFLSMTSA-N 1 0 447.584 0.822 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCCCC1 ZINC001541876260 1071902981 /nfs/dbraw/zinc/90/29/81/1071902981.db2.gz NLXPIDXJWCIFHH-FUHWJXTLSA-N 1 0 447.584 0.822 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCCCC1 ZINC001541876261 1071903097 /nfs/dbraw/zinc/90/30/97/1071903097.db2.gz NLXPIDXJWCIFHH-SJLPKXTDSA-N 1 0 447.584 0.822 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCCCC1 ZINC001541876262 1071903174 /nfs/dbraw/zinc/90/31/74/1071903174.db2.gz NLXPIDXJWCIFHH-WMZOPIPTSA-N 1 0 447.584 0.822 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC001541876839 1071903188 /nfs/dbraw/zinc/90/31/88/1071903188.db2.gz YWVSREKKLZSFJH-CVEARBPZSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC001541876840 1071903082 /nfs/dbraw/zinc/90/30/82/1071903082.db2.gz YWVSREKKLZSFJH-HOTGVXAUSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC001541876841 1071902968 /nfs/dbraw/zinc/90/29/68/1071902968.db2.gz YWVSREKKLZSFJH-HZPDHXFCSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC001541876842 1071903067 /nfs/dbraw/zinc/90/30/67/1071903067.db2.gz YWVSREKKLZSFJH-JKSUJKDBSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H](Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC001541879327 1071903583 /nfs/dbraw/zinc/90/35/83/1071903583.db2.gz SDYCEBHYPCHITD-KRWDZBQOSA-N 1 0 436.582 0.899 20 0 ICADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC001541879328 1071903738 /nfs/dbraw/zinc/90/37/38/1071903738.db2.gz SDYCEBHYPCHITD-QGZVFWFLSA-N 1 0 436.582 0.899 20 0 ICADRO CC(C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541879387 1071903626 /nfs/dbraw/zinc/90/36/26/1071903626.db2.gz SSPZAAOHWQXGNC-INIZCTEOSA-N 1 0 433.557 0.890 20 0 ICADRO CC(C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001541879388 1071903595 /nfs/dbraw/zinc/90/35/95/1071903595.db2.gz SSPZAAOHWQXGNC-MRXNPFEDSA-N 1 0 433.557 0.890 20 0 ICADRO C[C@H](Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541879907 1071903642 /nfs/dbraw/zinc/90/36/42/1071903642.db2.gz CFKRBIOTLKOZAR-INIZCTEOSA-N 1 0 440.614 0.889 20 0 ICADRO C[C@@H](Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541879908 1071904201 /nfs/dbraw/zinc/90/42/01/1071904201.db2.gz CFKRBIOTLKOZAR-MRXNPFEDSA-N 1 0 440.614 0.889 20 0 ICADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCOCC1 ZINC001541880271 1071904162 /nfs/dbraw/zinc/90/41/62/1071904162.db2.gz JVIPGPPBJIGZNF-INIZCTEOSA-N 1 0 431.541 0.712 20 0 ICADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCOCC1 ZINC001541880272 1071904119 /nfs/dbraw/zinc/90/41/19/1071904119.db2.gz JVIPGPPBJIGZNF-MRXNPFEDSA-N 1 0 431.541 0.712 20 0 ICADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC001541880277 1071904253 /nfs/dbraw/zinc/90/42/53/1071904253.db2.gz JYLADMJUTIJPFU-HNNXBMFYSA-N 1 0 425.559 0.227 20 0 ICADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC001541880278 1071904125 /nfs/dbraw/zinc/90/41/25/1071904125.db2.gz JYLADMJUTIJPFU-OAHLLOKOSA-N 1 0 425.559 0.227 20 0 ICADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541880697 1071904154 /nfs/dbraw/zinc/90/41/54/1071904154.db2.gz QHBZZTTZCFIRGT-INIZCTEOSA-N 1 0 437.570 0.323 20 0 ICADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541880698 1071904226 /nfs/dbraw/zinc/90/42/26/1071904226.db2.gz QHBZZTTZCFIRGT-MRXNPFEDSA-N 1 0 437.570 0.323 20 0 ICADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCOCC1 ZINC001541881001 1071904732 /nfs/dbraw/zinc/90/47/32/1071904732.db2.gz WIRKKLIMYVFODA-INIZCTEOSA-N 1 0 446.556 0.118 20 0 ICADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)C[NH+]1CCOCC1 ZINC001541881002 1071904708 /nfs/dbraw/zinc/90/47/08/1071904708.db2.gz WIRKKLIMYVFODA-MRXNPFEDSA-N 1 0 446.556 0.118 20 0 ICADRO C[C@H](Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541881039 1071904747 /nfs/dbraw/zinc/90/47/47/1071904747.db2.gz WWYRMXINCXCNMX-HNNXBMFYSA-N 1 0 426.587 0.642 20 0 ICADRO C[C@@H](Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541881040 1071904667 /nfs/dbraw/zinc/90/46/67/1071904667.db2.gz WWYRMXINCXCNMX-OAHLLOKOSA-N 1 0 426.587 0.642 20 0 ICADRO C[C@H](Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541882191 1071904697 /nfs/dbraw/zinc/90/46/97/1071904697.db2.gz SJJXKJVSTPJQSL-KRWDZBQOSA-N 1 0 440.614 0.671 20 0 ICADRO C[C@@H](Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001541882192 1071905172 /nfs/dbraw/zinc/90/51/72/1071905172.db2.gz SJJXKJVSTPJQSL-QGZVFWFLSA-N 1 0 440.614 0.671 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CC[NH+](C2CC2)CC1 ZINC001541891197 1071906116 /nfs/dbraw/zinc/90/61/16/1071906116.db2.gz GSDDJXSTQGDROR-PBHICJAKSA-N 1 0 438.598 0.973 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CC[NH+](C2CC2)CC1 ZINC001541891198 1071906147 /nfs/dbraw/zinc/90/61/47/1071906147.db2.gz GSDDJXSTQGDROR-RHSMWYFYSA-N 1 0 438.598 0.973 20 0 ICADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CC[NH+](C2CC2)CC1 ZINC001541891199 1071906052 /nfs/dbraw/zinc/90/60/52/1071906052.db2.gz GSDDJXSTQGDROR-WMLDXEAASA-N 1 0 438.598 0.973 20 0 ICADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CC[NH+](C2CC2)CC1 ZINC001541891200 1071906093 /nfs/dbraw/zinc/90/60/93/1071906093.db2.gz GSDDJXSTQGDROR-YOEHRIQHSA-N 1 0 438.598 0.973 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541891781 1071907178 /nfs/dbraw/zinc/90/71/78/1071907178.db2.gz PMSVSXYWPQZSPA-BRWVUGGUSA-N 1 0 429.587 0.498 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541891782 1071907140 /nfs/dbraw/zinc/90/71/40/1071907140.db2.gz PMSVSXYWPQZSPA-IKGGRYGDSA-N 1 0 429.587 0.498 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541891783 1071907056 /nfs/dbraw/zinc/90/70/56/1071907056.db2.gz PMSVSXYWPQZSPA-IXDOHACOSA-N 1 0 429.587 0.498 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541891784 1071907071 /nfs/dbraw/zinc/90/70/71/1071907071.db2.gz PMSVSXYWPQZSPA-ZACQAIPSSA-N 1 0 429.587 0.498 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001541892051 1071907188 /nfs/dbraw/zinc/90/71/88/1071907188.db2.gz UCCDYHLTFVKLCB-CVEARBPZSA-N 1 0 442.586 0.211 20 0 ICADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001541892052 1071907153 /nfs/dbraw/zinc/90/71/53/1071907153.db2.gz UCCDYHLTFVKLCB-HOTGVXAUSA-N 1 0 442.586 0.211 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001541892053 1071907039 /nfs/dbraw/zinc/90/70/39/1071907039.db2.gz UCCDYHLTFVKLCB-HZPDHXFCSA-N 1 0 442.586 0.211 20 0 ICADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001541892054 1071907084 /nfs/dbraw/zinc/90/70/84/1071907084.db2.gz UCCDYHLTFVKLCB-JKSUJKDBSA-N 1 0 442.586 0.211 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541905831 1071909153 /nfs/dbraw/zinc/90/91/53/1071909153.db2.gz ACKQXAQVPGXKNQ-DEYYWGMASA-N 1 0 426.543 0.745 20 0 ICADRO C[C@H](c1ccco1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541905832 1071909121 /nfs/dbraw/zinc/90/91/21/1071909121.db2.gz ACKQXAQVPGXKNQ-IYOUNJFTSA-N 1 0 426.543 0.745 20 0 ICADRO C[C@H](c1ccco1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541905833 1071909017 /nfs/dbraw/zinc/90/90/17/1071909017.db2.gz ACKQXAQVPGXKNQ-PMUMKWKESA-N 1 0 426.543 0.745 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541905834 1071909059 /nfs/dbraw/zinc/90/90/59/1071909059.db2.gz ACKQXAQVPGXKNQ-SUNYJGFJSA-N 1 0 426.543 0.745 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541907889 1071909535 /nfs/dbraw/zinc/90/95/35/1071909535.db2.gz GMNARLYWFDUMOC-GRDNDAEWSA-N 1 0 432.616 0.551 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541907890 1071909544 /nfs/dbraw/zinc/90/95/44/1071909544.db2.gz GMNARLYWFDUMOC-JJRVBVJISA-N 1 0 432.616 0.551 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541907891 1071909625 /nfs/dbraw/zinc/90/96/25/1071909625.db2.gz GMNARLYWFDUMOC-VBQJREDUSA-N 1 0 432.616 0.551 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541907892 1071909591 /nfs/dbraw/zinc/90/95/91/1071909591.db2.gz GMNARLYWFDUMOC-ZQIUZPCESA-N 1 0 432.616 0.551 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC(C)(C)N1CCOCC1 ZINC001541908141 1071910124 /nfs/dbraw/zinc/91/01/24/1071910124.db2.gz JOSHVAXGUFGUSN-CABCVRRESA-N 1 0 430.575 0.224 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC(C)(C)N1CCOCC1 ZINC001541908142 1071910092 /nfs/dbraw/zinc/91/00/92/1071910092.db2.gz JOSHVAXGUFGUSN-GJZGRUSLSA-N 1 0 430.575 0.224 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)N1CCOCC1 ZINC001541908143 1071910034 /nfs/dbraw/zinc/91/00/34/1071910034.db2.gz JOSHVAXGUFGUSN-HUUCEWRRSA-N 1 0 430.575 0.224 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)N1CCOCC1 ZINC001541908144 1071909992 /nfs/dbraw/zinc/90/99/92/1071909992.db2.gz JOSHVAXGUFGUSN-LSDHHAIUSA-N 1 0 430.575 0.224 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541909777 1071911075 /nfs/dbraw/zinc/91/10/75/1071911075.db2.gz LFHLRJPTGPCOEM-ARFHVFGLSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541909778 1071911027 /nfs/dbraw/zinc/91/10/27/1071911027.db2.gz LFHLRJPTGPCOEM-HRCADAONSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541909779 1071911127 /nfs/dbraw/zinc/91/11/27/1071911127.db2.gz LFHLRJPTGPCOEM-JYJNAYRXSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541909780 1071911477 /nfs/dbraw/zinc/91/14/77/1071911477.db2.gz LFHLRJPTGPCOEM-XHSDSOJGSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541910139 1071911589 /nfs/dbraw/zinc/91/15/89/1071911589.db2.gz QUMWIGQWNLBGIX-CHWSQXEVSA-N 1 0 442.508 0.734 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541910140 1071911675 /nfs/dbraw/zinc/91/16/75/1071911675.db2.gz QUMWIGQWNLBGIX-OLZOCXBDSA-N 1 0 442.508 0.734 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541910141 1071911541 /nfs/dbraw/zinc/91/15/41/1071911541.db2.gz QUMWIGQWNLBGIX-QWHCGFSZSA-N 1 0 442.508 0.734 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541910142 1071911489 /nfs/dbraw/zinc/91/14/89/1071911489.db2.gz QUMWIGQWNLBGIX-STQMWFEESA-N 1 0 442.508 0.734 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001541910181 1071911579 /nfs/dbraw/zinc/91/15/79/1071911579.db2.gz RITUQGVIANYADP-AWEZNQCLSA-N 1 0 443.618 0.724 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001541910182 1071911647 /nfs/dbraw/zinc/91/16/47/1071911647.db2.gz RITUQGVIANYADP-CQSZACIVSA-N 1 0 443.618 0.724 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[NH+]1CCCC1 ZINC001541910731 1071912543 /nfs/dbraw/zinc/91/25/43/1071912543.db2.gz CCJUCKTVRXJXGU-HNNXBMFYSA-N 1 0 449.581 0.719 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[NH+]1CCCC1 ZINC001541910732 1071912585 /nfs/dbraw/zinc/91/25/85/1071912585.db2.gz CCJUCKTVRXJXGU-OAHLLOKOSA-N 1 0 449.581 0.719 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541911399 1071912595 /nfs/dbraw/zinc/91/25/95/1071912595.db2.gz PHYGCGLTVDGTOP-AUUYWEPGSA-N 1 0 440.545 0.730 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541911400 1071912516 /nfs/dbraw/zinc/91/25/16/1071912516.db2.gz PHYGCGLTVDGTOP-IFXJQAMLSA-N 1 0 440.545 0.730 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541911401 1071912603 /nfs/dbraw/zinc/91/26/03/1071912603.db2.gz PHYGCGLTVDGTOP-KUHUBIRLSA-N 1 0 440.545 0.730 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541911402 1071912643 /nfs/dbraw/zinc/91/26/43/1071912643.db2.gz PHYGCGLTVDGTOP-LIRRHRJNSA-N 1 0 440.545 0.730 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CC[NH+]1CCCC1 ZINC001541911703 1071912528 /nfs/dbraw/zinc/91/25/28/1071912528.db2.gz VOABJKAISDKHQY-HNNXBMFYSA-N 1 0 449.581 0.719 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CC[NH+]1CCCC1 ZINC001541911704 1071913020 /nfs/dbraw/zinc/91/30/20/1071913020.db2.gz VOABJKAISDKHQY-OAHLLOKOSA-N 1 0 449.581 0.719 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[NH+]1CCSCC1 ZINC001541915975 1071915839 /nfs/dbraw/zinc/91/58/39/1071915839.db2.gz ZGAUIARPRXAGOK-CABCVRRESA-N 1 0 432.616 0.410 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[NH+]1CCSCC1 ZINC001541915976 1071915878 /nfs/dbraw/zinc/91/58/78/1071915878.db2.gz ZGAUIARPRXAGOK-GJZGRUSLSA-N 1 0 432.616 0.410 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCOC2)n1CC[NH+]1CCSCC1 ZINC001541915977 1071915922 /nfs/dbraw/zinc/91/59/22/1071915922.db2.gz ZGAUIARPRXAGOK-HUUCEWRRSA-N 1 0 432.616 0.410 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCOC2)n1CC[NH+]1CCSCC1 ZINC001541915978 1071915854 /nfs/dbraw/zinc/91/58/54/1071915854.db2.gz ZGAUIARPRXAGOK-LSDHHAIUSA-N 1 0 432.616 0.410 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541916805 1071916868 /nfs/dbraw/zinc/91/68/68/1071916868.db2.gz OUAISQCPLOXASG-CVEARBPZSA-N 1 0 436.586 0.706 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541916806 1071916796 /nfs/dbraw/zinc/91/67/96/1071916796.db2.gz OUAISQCPLOXASG-HOTGVXAUSA-N 1 0 436.586 0.706 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541916807 1071916903 /nfs/dbraw/zinc/91/69/03/1071916903.db2.gz OUAISQCPLOXASG-HZPDHXFCSA-N 1 0 436.586 0.706 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541916808 1071916830 /nfs/dbraw/zinc/91/68/30/1071916830.db2.gz OUAISQCPLOXASG-JKSUJKDBSA-N 1 0 436.586 0.706 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541917971 1071917764 /nfs/dbraw/zinc/91/77/64/1071917764.db2.gz LVVDFYHZJWZDEJ-FOIQADDNSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541917972 1071917800 /nfs/dbraw/zinc/91/78/00/1071917800.db2.gz LVVDFYHZJWZDEJ-MGPUTAFESA-N 1 0 440.614 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541917973 1071917874 /nfs/dbraw/zinc/91/78/74/1071917874.db2.gz LVVDFYHZJWZDEJ-QRWLVFNGSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541917974 1071917885 /nfs/dbraw/zinc/91/78/85/1071917885.db2.gz LVVDFYHZJWZDEJ-YWZLYKJASA-N 1 0 440.614 0.971 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001541918423 1071918408 /nfs/dbraw/zinc/91/84/08/1071918408.db2.gz SXNSJAPGYPMGBD-CABCVRRESA-N 1 0 429.591 0.286 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001541918424 1071918447 /nfs/dbraw/zinc/91/84/47/1071918447.db2.gz SXNSJAPGYPMGBD-GJZGRUSLSA-N 1 0 429.591 0.286 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001541918425 1071918329 /nfs/dbraw/zinc/91/83/29/1071918329.db2.gz SXNSJAPGYPMGBD-HUUCEWRRSA-N 1 0 429.591 0.286 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001541918426 1071918369 /nfs/dbraw/zinc/91/83/69/1071918369.db2.gz SXNSJAPGYPMGBD-LSDHHAIUSA-N 1 0 429.591 0.286 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC1([NH+](C)C)CCC1 ZINC001541920917 1071919877 /nfs/dbraw/zinc/91/98/77/1071919877.db2.gz HEMJCWWVPHZELK-PMRDEQMMSA-N 1 0 440.614 0.970 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC1([NH+](C)C)CCC1 ZINC001541920918 1071919926 /nfs/dbraw/zinc/91/99/26/1071919926.db2.gz HEMJCWWVPHZELK-VPSFDDGASA-N 1 0 440.614 0.970 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001541921297 1071919907 /nfs/dbraw/zinc/91/99/07/1071919907.db2.gz NHDCFAVXVZAYLD-PMRDEQMMSA-N 1 0 428.603 0.826 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001541921298 1071920466 /nfs/dbraw/zinc/92/04/66/1071920466.db2.gz NHDCFAVXVZAYLD-VPSFDDGASA-N 1 0 428.603 0.826 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCc1ccn(C)n1 ZINC001541921721 1071920505 /nfs/dbraw/zinc/92/05/05/1071920505.db2.gz VSIOIYKBRWBKPO-HLLBOEOZSA-N 1 0 436.586 0.537 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCc1ccn(C)n1 ZINC001541921722 1071920427 /nfs/dbraw/zinc/92/04/27/1071920427.db2.gz VSIOIYKBRWBKPO-VYDXJSESSA-N 1 0 436.586 0.537 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCc1ccn(C)n1 ZINC001541921723 1071920335 /nfs/dbraw/zinc/92/03/35/1071920335.db2.gz VSIOIYKBRWBKPO-YQQAZPJKSA-N 1 0 436.586 0.537 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCc1ccn(C)n1 ZINC001541921724 1071920286 /nfs/dbraw/zinc/92/02/86/1071920286.db2.gz VSIOIYKBRWBKPO-ZOBUZTSGSA-N 1 0 436.586 0.537 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC1([S@](C)=O)CC1 ZINC001541921867 1071920371 /nfs/dbraw/zinc/92/03/71/1071920371.db2.gz YMFCEWSZQPCSBF-BRJAGZCNSA-N 1 0 444.627 0.472 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC1([S@@](C)=O)CC1 ZINC001541921868 1071920405 /nfs/dbraw/zinc/92/04/05/1071920405.db2.gz YMFCEWSZQPCSBF-GODCIGNGSA-N 1 0 444.627 0.472 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC1([S@](C)=O)CC1 ZINC001541921869 1071920353 /nfs/dbraw/zinc/92/03/53/1071920353.db2.gz YMFCEWSZQPCSBF-IRTSYGHZSA-N 1 0 444.627 0.472 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC1([S@@](C)=O)CC1 ZINC001541921870 1071920321 /nfs/dbraw/zinc/92/03/21/1071920321.db2.gz YMFCEWSZQPCSBF-VSGQTLMKSA-N 1 0 444.627 0.472 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541921915 1071920477 /nfs/dbraw/zinc/92/04/77/1071920477.db2.gz ZDBVMUMSIZCMCP-IIQAOJFUSA-N 1 0 440.614 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541921916 1071920520 /nfs/dbraw/zinc/92/05/20/1071920520.db2.gz ZDBVMUMSIZCMCP-SZNINPNASA-N 1 0 440.614 0.970 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@@H+]1CCC[C@H]1C ZINC001541921917 1071920386 /nfs/dbraw/zinc/92/03/86/1071920386.db2.gz ZDBVMUMSIZCMCP-VQVIJEGRSA-N 1 0 440.614 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@@H+]1CCC[C@H]1C ZINC001541921918 1071920937 /nfs/dbraw/zinc/92/09/37/1071920937.db2.gz ZDBVMUMSIZCMCP-WXCOAYGQSA-N 1 0 440.614 0.970 20 0 ICADRO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001541921985 1071920930 /nfs/dbraw/zinc/92/09/30/1071920930.db2.gz APWCXOLNKSFMOJ-HRCADAONSA-N 1 0 441.602 0.464 20 0 ICADRO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001541921986 1071920958 /nfs/dbraw/zinc/92/09/58/1071920958.db2.gz APWCXOLNKSFMOJ-JYJNAYRXSA-N 1 0 441.602 0.464 20 0 ICADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001541921987 1071921028 /nfs/dbraw/zinc/92/10/28/1071921028.db2.gz APWCXOLNKSFMOJ-OWCLPIDISA-N 1 0 441.602 0.464 20 0 ICADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001541921988 1071920902 /nfs/dbraw/zinc/92/09/02/1071920902.db2.gz APWCXOLNKSFMOJ-PMPSAXMXSA-N 1 0 441.602 0.464 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001541922217 1071920963 /nfs/dbraw/zinc/92/09/63/1071920963.db2.gz FLBBOXJCYSOCLO-HNNXBMFYSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001541922218 1071920949 /nfs/dbraw/zinc/92/09/49/1071920949.db2.gz FLBBOXJCYSOCLO-OAHLLOKOSA-N 1 0 441.602 0.466 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001541922269 1071921015 /nfs/dbraw/zinc/92/10/15/1071921015.db2.gz GGILTSVFVKAPDB-AWEZNQCLSA-N 1 0 429.591 0.320 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001541922270 1071921038 /nfs/dbraw/zinc/92/10/38/1071921038.db2.gz GGILTSVFVKAPDB-CQSZACIVSA-N 1 0 429.591 0.320 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001541922345 1071921047 /nfs/dbraw/zinc/92/10/47/1071921047.db2.gz HJQGJZYJAFOKKB-KBPBESRZSA-N 1 0 427.575 0.074 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001541922346 1071920987 /nfs/dbraw/zinc/92/09/87/1071920987.db2.gz HJQGJZYJAFOKKB-KGLIPLIRSA-N 1 0 427.575 0.074 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001541922347 1071920920 /nfs/dbraw/zinc/92/09/20/1071920920.db2.gz HJQGJZYJAFOKKB-UONOGXRCSA-N 1 0 427.575 0.074 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001541922348 1071921060 /nfs/dbraw/zinc/92/10/60/1071921060.db2.gz HJQGJZYJAFOKKB-ZIAGYGMSSA-N 1 0 427.575 0.074 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001541925533 1071923479 /nfs/dbraw/zinc/92/34/79/1071923479.db2.gz DXOCDTTWPWJDJW-AWEZNQCLSA-N 1 0 443.618 0.568 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001541925534 1071923494 /nfs/dbraw/zinc/92/34/94/1071923494.db2.gz DXOCDTTWPWJDJW-CQSZACIVSA-N 1 0 443.618 0.568 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CCC[NH+]1CCCC1 ZINC001541925579 1071923352 /nfs/dbraw/zinc/92/33/52/1071923352.db2.gz FPRIJIHRDRILFK-HNNXBMFYSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CCC[NH+]1CCCC1 ZINC001541925580 1071923401 /nfs/dbraw/zinc/92/34/01/1071923401.db2.gz FPRIJIHRDRILFK-OAHLLOKOSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541925917 1071923417 /nfs/dbraw/zinc/92/34/17/1071923417.db2.gz JUOCURUPRIDWQO-CGTJXYLNSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541925918 1071923376 /nfs/dbraw/zinc/92/33/76/1071923376.db2.gz JUOCURUPRIDWQO-JQHSSLGASA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541925919 1071923500 /nfs/dbraw/zinc/92/35/00/1071923500.db2.gz JUOCURUPRIDWQO-RYQLBKOJSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541925920 1071923961 /nfs/dbraw/zinc/92/39/61/1071923961.db2.gz JUOCURUPRIDWQO-SZMVWBNQSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CCCO)CC2)n1CC[NH+]1CCCC1 ZINC001541925947 1071923970 /nfs/dbraw/zinc/92/39/70/1071923970.db2.gz KIQBXZQEIIANCC-INIZCTEOSA-N 1 0 428.603 0.973 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CCCO)CC2)n1CC[NH+]1CCCC1 ZINC001541925948 1071923981 /nfs/dbraw/zinc/92/39/81/1071923981.db2.gz KIQBXZQEIIANCC-MRXNPFEDSA-N 1 0 428.603 0.973 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541926777 1071924930 /nfs/dbraw/zinc/92/49/30/1071924930.db2.gz XXQGQAWKZANJEA-DOTOQJQBSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541926778 1071924825 /nfs/dbraw/zinc/92/48/25/1071924825.db2.gz XXQGQAWKZANJEA-NVXWUHKLSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541926779 1071924888 /nfs/dbraw/zinc/92/48/88/1071924888.db2.gz XXQGQAWKZANJEA-RDJZCZTQSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541926780 1071924934 /nfs/dbraw/zinc/92/49/34/1071924934.db2.gz XXQGQAWKZANJEA-WBVHZDCISA-N 1 0 440.614 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001541927323 1071925425 /nfs/dbraw/zinc/92/54/25/1071925425.db2.gz INMGSEABQQLWCP-GDBMZVCRSA-N 1 0 440.570 0.993 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001541927324 1071925415 /nfs/dbraw/zinc/92/54/15/1071925415.db2.gz INMGSEABQQLWCP-GOEBONIOSA-N 1 0 440.570 0.993 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001541927325 1071925346 /nfs/dbraw/zinc/92/53/46/1071925346.db2.gz INMGSEABQQLWCP-HOCLYGCPSA-N 1 0 440.570 0.993 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001541927326 1071925313 /nfs/dbraw/zinc/92/53/13/1071925313.db2.gz INMGSEABQQLWCP-ZBFHGGJFSA-N 1 0 440.570 0.993 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541927743 1071925852 /nfs/dbraw/zinc/92/58/52/1071925852.db2.gz PCTXLFXJYHOQAU-CYBMUJFWSA-N 1 0 436.529 0.581 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541927744 1071925841 /nfs/dbraw/zinc/92/58/41/1071925841.db2.gz PCTXLFXJYHOQAU-ZDUSSCGKSA-N 1 0 436.529 0.581 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@H]1COCCO1 ZINC001541929732 1071927259 /nfs/dbraw/zinc/92/72/59/1071927259.db2.gz XIFCXCVNOJSFTC-BBWFWOEESA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@@H]1COCCO1 ZINC001541929733 1071927326 /nfs/dbraw/zinc/92/73/26/1071927326.db2.gz XIFCXCVNOJSFTC-GVDBMIGSSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@H]1COCCO1 ZINC001541929734 1071927310 /nfs/dbraw/zinc/92/73/10/1071927310.db2.gz XIFCXCVNOJSFTC-ULQDDVLXSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@@H]1COCCO1 ZINC001541929735 1071927265 /nfs/dbraw/zinc/92/72/65/1071927265.db2.gz XIFCXCVNOJSFTC-YESZJQIVSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541930366 1071927799 /nfs/dbraw/zinc/92/77/99/1071927799.db2.gz JPHKZWFWSYGHDM-BXWFABGCSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001541930367 1071927709 /nfs/dbraw/zinc/92/77/09/1071927709.db2.gz JPHKZWFWSYGHDM-GJYPPUQNSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001541930368 1071927808 /nfs/dbraw/zinc/92/78/08/1071927808.db2.gz JPHKZWFWSYGHDM-JTDSTZFVSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541930369 1071927776 /nfs/dbraw/zinc/92/77/76/1071927776.db2.gz JPHKZWFWSYGHDM-TXPKVOOTSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541930482 1071928247 /nfs/dbraw/zinc/92/82/47/1071928247.db2.gz LSKZBTQCCJGZFU-BEFAXECRSA-N 1 0 426.587 0.725 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541930483 1071928319 /nfs/dbraw/zinc/92/83/19/1071928319.db2.gz LSKZBTQCCJGZFU-DNVCBOLYSA-N 1 0 426.587 0.725 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541930484 1071928336 /nfs/dbraw/zinc/92/83/36/1071928336.db2.gz LSKZBTQCCJGZFU-HNAYVOBHSA-N 1 0 426.587 0.725 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541930485 1071928233 /nfs/dbraw/zinc/92/82/33/1071928233.db2.gz LSKZBTQCCJGZFU-KXBFYZLASA-N 1 0 426.587 0.725 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)[N@H+](C)C1CC1 ZINC001541930562 1071928210 /nfs/dbraw/zinc/92/82/10/1071928210.db2.gz NFVCPGMQQXMTRA-DOXZYTNZSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)[N@H+](C)C1CC1 ZINC001541930563 1071928272 /nfs/dbraw/zinc/92/82/72/1071928272.db2.gz NFVCPGMQQXMTRA-VCBZYWHSSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)[N@H+](C)C1CC1 ZINC001541930564 1071928289 /nfs/dbraw/zinc/92/82/89/1071928289.db2.gz NFVCPGMQQXMTRA-YZVOILCLSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)[N@H+](C)C1CC1 ZINC001541930565 1071928201 /nfs/dbraw/zinc/92/82/01/1071928201.db2.gz NFVCPGMQQXMTRA-ZRGWGRIASA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCOCC3)n1CCOCC[NH+](C)C ZINC001541930602 1071928188 /nfs/dbraw/zinc/92/81/88/1071928188.db2.gz NSBKDSUGQCEMTE-INIZCTEOSA-N 1 0 444.602 0.473 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCOCC3)n1CCOCC[NH+](C)C ZINC001541930603 1071928304 /nfs/dbraw/zinc/92/83/04/1071928304.db2.gz NSBKDSUGQCEMTE-MRXNPFEDSA-N 1 0 444.602 0.473 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541931290 1071928781 /nfs/dbraw/zinc/92/87/81/1071928781.db2.gz YVQXEZWMJREAAZ-GMBSWORKSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541931291 1071928753 /nfs/dbraw/zinc/92/87/53/1071928753.db2.gz YVQXEZWMJREAAZ-QOKNQOGYSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541931292 1071928728 /nfs/dbraw/zinc/92/87/28/1071928728.db2.gz YVQXEZWMJREAAZ-URLQWDBASA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541931293 1071929285 /nfs/dbraw/zinc/92/92/85/1071929285.db2.gz YVQXEZWMJREAAZ-ZSZQSSIHSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[N@H+](C)C1CC1 ZINC001541932214 1071929584 /nfs/dbraw/zinc/92/95/84/1071929584.db2.gz QLLHWEGTCYILLB-BIENJYKASA-N 1 0 439.586 0.087 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[N@H+](C)C1CC1 ZINC001541932215 1071929684 /nfs/dbraw/zinc/92/96/84/1071929684.db2.gz QLLHWEGTCYILLB-CKFHNAJUSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[N@H+](C)C1CC1 ZINC001541932216 1071929745 /nfs/dbraw/zinc/92/97/45/1071929745.db2.gz QLLHWEGTCYILLB-NJSLBKSFSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[N@H+](C)C1CC1 ZINC001541932217 1071929612 /nfs/dbraw/zinc/92/96/12/1071929612.db2.gz QLLHWEGTCYILLB-TYILLQQXSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541933950 1071931534 /nfs/dbraw/zinc/93/15/34/1071931534.db2.gz RCSDYPGPJIDBDI-ATGSNQNLSA-N 1 0 442.542 0.343 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541933951 1071931519 /nfs/dbraw/zinc/93/15/19/1071931519.db2.gz RCSDYPGPJIDBDI-CYUUQNCZSA-N 1 0 442.542 0.343 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541933952 1071931503 /nfs/dbraw/zinc/93/15/03/1071931503.db2.gz RCSDYPGPJIDBDI-MXAVVETBSA-N 1 0 442.542 0.343 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541933953 1071931531 /nfs/dbraw/zinc/93/15/31/1071931531.db2.gz RCSDYPGPJIDBDI-PMOUVXMZSA-N 1 0 442.542 0.343 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001541934440 1071931981 /nfs/dbraw/zinc/93/19/81/1071931981.db2.gz ZDBACOSZKYCMRG-ILXRZTDVSA-N 1 0 441.602 0.333 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001541934441 1071931935 /nfs/dbraw/zinc/93/19/35/1071931935.db2.gz ZDBACOSZKYCMRG-KKUMJFAQSA-N 1 0 441.602 0.333 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001541934442 1071931904 /nfs/dbraw/zinc/93/19/04/1071931904.db2.gz ZDBACOSZKYCMRG-QLFBSQMISA-N 1 0 441.602 0.333 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001541934443 1071931960 /nfs/dbraw/zinc/93/19/60/1071931960.db2.gz ZDBACOSZKYCMRG-SOUVJXGZSA-N 1 0 441.602 0.333 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001541934600 1071931944 /nfs/dbraw/zinc/93/19/44/1071931944.db2.gz BERRMLVPTUAAFQ-HUUCEWRRSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001541934601 1071932367 /nfs/dbraw/zinc/93/23/67/1071932367.db2.gz BERRMLVPTUAAFQ-LSDHHAIUSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cnn(C)c1 ZINC001541934602 1071932339 /nfs/dbraw/zinc/93/23/39/1071932339.db2.gz BFDFTPWCLIUVRP-DOTOQJQBSA-N 1 0 436.586 0.735 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cnn(C)c1 ZINC001541934603 1071932420 /nfs/dbraw/zinc/93/24/20/1071932420.db2.gz BFDFTPWCLIUVRP-NVXWUHKLSA-N 1 0 436.586 0.735 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cnn(C)c1 ZINC001541934604 1071932439 /nfs/dbraw/zinc/93/24/39/1071932439.db2.gz BFDFTPWCLIUVRP-RDJZCZTQSA-N 1 0 436.586 0.735 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cnn(C)c1 ZINC001541934605 1071932333 /nfs/dbraw/zinc/93/23/33/1071932333.db2.gz BFDFTPWCLIUVRP-WBVHZDCISA-N 1 0 436.586 0.735 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H]1COCCO1 ZINC001541934996 1071932867 /nfs/dbraw/zinc/93/28/67/1071932867.db2.gz IEBSYVNENWURSI-BRWVUGGUSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1COCCO1 ZINC001541934997 1071932834 /nfs/dbraw/zinc/93/28/34/1071932834.db2.gz IEBSYVNENWURSI-IXDOHACOSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001541935078 1071932891 /nfs/dbraw/zinc/93/28/91/1071932891.db2.gz JDZWSVYCABZHFX-HUUCEWRRSA-N 1 0 441.602 0.464 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001541935079 1071932854 /nfs/dbraw/zinc/93/28/54/1071932854.db2.gz JDZWSVYCABZHFX-LSDHHAIUSA-N 1 0 441.602 0.464 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541935708 1071933337 /nfs/dbraw/zinc/93/33/37/1071933337.db2.gz RNTYWFFDQZEWCF-RRFJBIMHSA-N 1 0 439.586 0.074 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541935709 1071933288 /nfs/dbraw/zinc/93/32/88/1071933288.db2.gz RNTYWFFDQZEWCF-SOUVJXGZSA-N 1 0 439.586 0.074 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CC[NH+]1CCCC1 ZINC001541936056 1071933728 /nfs/dbraw/zinc/93/37/28/1071933728.db2.gz WRSQGWCLTSIXLL-CVEARBPZSA-N 1 0 437.574 0.417 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CC[NH+]1CCCC1 ZINC001541936057 1071933783 /nfs/dbraw/zinc/93/37/83/1071933783.db2.gz WRSQGWCLTSIXLL-HOTGVXAUSA-N 1 0 437.574 0.417 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CC[NH+]1CCCC1 ZINC001541936058 1071933648 /nfs/dbraw/zinc/93/36/48/1071933648.db2.gz WRSQGWCLTSIXLL-HZPDHXFCSA-N 1 0 437.574 0.417 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CC[NH+]1CCCC1 ZINC001541936059 1071933779 /nfs/dbraw/zinc/93/37/79/1071933779.db2.gz WRSQGWCLTSIXLL-JKSUJKDBSA-N 1 0 437.574 0.417 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001541936300 1071934190 /nfs/dbraw/zinc/93/41/90/1071934190.db2.gz ZWPPDYSIBUAPEG-CABCVRRESA-N 1 0 427.575 0.076 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001541936301 1071934147 /nfs/dbraw/zinc/93/41/47/1071934147.db2.gz ZWPPDYSIBUAPEG-GJZGRUSLSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001541936302 1071934111 /nfs/dbraw/zinc/93/41/11/1071934111.db2.gz ZWPPDYSIBUAPEG-HUUCEWRRSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001541936303 1071934163 /nfs/dbraw/zinc/93/41/63/1071934163.db2.gz ZWPPDYSIBUAPEG-LSDHHAIUSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1CC[NH+]1CCCC1 ZINC001541936604 1071934152 /nfs/dbraw/zinc/93/41/52/1071934152.db2.gz FIKSLQQQXULHKZ-CABCVRRESA-N 1 0 437.574 0.454 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1CC[NH+]1CCCC1 ZINC001541936605 1071934193 /nfs/dbraw/zinc/93/41/93/1071934193.db2.gz FIKSLQQQXULHKZ-GJZGRUSLSA-N 1 0 437.574 0.454 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CC[NH+]1CCCC1 ZINC001541936606 1071934181 /nfs/dbraw/zinc/93/41/81/1071934181.db2.gz FIKSLQQQXULHKZ-HUUCEWRRSA-N 1 0 437.574 0.454 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CC[NH+]1CCCC1 ZINC001541936607 1071934134 /nfs/dbraw/zinc/93/41/34/1071934134.db2.gz FIKSLQQQXULHKZ-LSDHHAIUSA-N 1 0 437.574 0.454 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001541938754 1071935430 /nfs/dbraw/zinc/93/54/30/1071935430.db2.gz LHTGORGQXCOABO-BXWFABGCSA-N 1 0 444.602 0.349 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001541938755 1071935512 /nfs/dbraw/zinc/93/55/12/1071935512.db2.gz LHTGORGQXCOABO-FCEWJHQRSA-N 1 0 444.602 0.349 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001541938756 1071935543 /nfs/dbraw/zinc/93/55/43/1071935543.db2.gz LHTGORGQXCOABO-FRQCXROJSA-N 1 0 444.602 0.349 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001541938757 1071935474 /nfs/dbraw/zinc/93/54/74/1071935474.db2.gz LHTGORGQXCOABO-TXPKVOOTSA-N 1 0 444.602 0.349 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 ZINC001541938812 1071935483 /nfs/dbraw/zinc/93/54/83/1071935483.db2.gz MLFRXRFZDWUVOF-BEFAXECRSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCOC1 ZINC001541938813 1071936069 /nfs/dbraw/zinc/93/60/69/1071936069.db2.gz MLFRXRFZDWUVOF-DNVCBOLYSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCOC1 ZINC001541938814 1071936023 /nfs/dbraw/zinc/93/60/23/1071936023.db2.gz MLFRXRFZDWUVOF-HNAYVOBHSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 ZINC001541938815 1071935951 /nfs/dbraw/zinc/93/59/51/1071935951.db2.gz MLFRXRFZDWUVOF-KXBFYZLASA-N 1 0 444.602 0.350 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541939646 1071935933 /nfs/dbraw/zinc/93/59/33/1071935933.db2.gz BRZXGABPSDSYKV-INIZCTEOSA-N 1 0 438.602 0.785 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541939647 1071936050 /nfs/dbraw/zinc/93/60/50/1071936050.db2.gz BRZXGABPSDSYKV-MRXNPFEDSA-N 1 0 438.602 0.785 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C2CC2)CC1 ZINC001541940080 1071936481 /nfs/dbraw/zinc/93/64/81/1071936481.db2.gz JZYASQUSHJFFQV-HNNXBMFYSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C2CC2)CC1 ZINC001541940081 1071936414 /nfs/dbraw/zinc/93/64/14/1071936414.db2.gz JZYASQUSHJFFQV-OAHLLOKOSA-N 1 0 441.602 0.335 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541940104 1071936526 /nfs/dbraw/zinc/93/65/26/1071936526.db2.gz KKESTBHPWOARBI-PBHICJAKSA-N 1 0 432.616 0.552 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541940105 1071936434 /nfs/dbraw/zinc/93/64/34/1071936434.db2.gz KKESTBHPWOARBI-RHSMWYFYSA-N 1 0 432.616 0.552 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541940106 1071936405 /nfs/dbraw/zinc/93/64/05/1071936405.db2.gz KKESTBHPWOARBI-WMLDXEAASA-N 1 0 432.616 0.552 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541940107 1071936498 /nfs/dbraw/zinc/93/64/98/1071936498.db2.gz KKESTBHPWOARBI-YOEHRIQHSA-N 1 0 432.616 0.552 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001541940755 1071936965 /nfs/dbraw/zinc/93/69/65/1071936965.db2.gz YAQSVCHMLHYPBP-CABCVRRESA-N 1 0 429.591 0.320 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001541940756 1071936946 /nfs/dbraw/zinc/93/69/46/1071936946.db2.gz YAQSVCHMLHYPBP-GJZGRUSLSA-N 1 0 429.591 0.320 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[NH+]1CCCCCC1 ZINC001541940769 1071936936 /nfs/dbraw/zinc/93/69/36/1071936936.db2.gz YNFZKKZQNZWKJL-CVEARBPZSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[NH+]1CCCCCC1 ZINC001541940770 1071936928 /nfs/dbraw/zinc/93/69/28/1071936928.db2.gz YNFZKKZQNZWKJL-HOTGVXAUSA-N 1 0 441.602 0.466 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001541940857 1071936956 /nfs/dbraw/zinc/93/69/56/1071936956.db2.gz AIFVNCRBPNGTJX-HNNXBMFYSA-N 1 0 449.581 0.566 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001541940858 1071936976 /nfs/dbraw/zinc/93/69/76/1071936976.db2.gz AIFVNCRBPNGTJX-OAHLLOKOSA-N 1 0 449.581 0.566 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001541941439 1071937415 /nfs/dbraw/zinc/93/74/15/1071937415.db2.gz KNRGYNCYKCGAEE-KBXCAEBGSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001541941440 1071937395 /nfs/dbraw/zinc/93/73/95/1071937395.db2.gz KNRGYNCYKCGAEE-KDOFPFPSSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001541941441 1071937437 /nfs/dbraw/zinc/93/74/37/1071937437.db2.gz KNRGYNCYKCGAEE-KSSFIOAISA-N 1 0 446.643 0.677 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001541941442 1071937459 /nfs/dbraw/zinc/93/74/59/1071937459.db2.gz KNRGYNCYKCGAEE-RDTXWAMCSA-N 1 0 446.643 0.677 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001541941549 1071937412 /nfs/dbraw/zinc/93/74/12/1071937412.db2.gz MKYSTKDTFWWBST-CABCVRRESA-N 1 0 427.575 0.041 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001541941550 1071937423 /nfs/dbraw/zinc/93/74/23/1071937423.db2.gz MKYSTKDTFWWBST-GJZGRUSLSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001541941551 1071937448 /nfs/dbraw/zinc/93/74/48/1071937448.db2.gz MKYSTKDTFWWBST-HUUCEWRRSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001541941552 1071937429 /nfs/dbraw/zinc/93/74/29/1071937429.db2.gz MKYSTKDTFWWBST-LSDHHAIUSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001541941697 1071937922 /nfs/dbraw/zinc/93/79/22/1071937922.db2.gz PABDWNAOILHCKC-AUUYWEPGSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001541941698 1071937797 /nfs/dbraw/zinc/93/77/97/1071937797.db2.gz PABDWNAOILHCKC-IFXJQAMLSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001541941699 1071937885 /nfs/dbraw/zinc/93/78/85/1071937885.db2.gz PABDWNAOILHCKC-KUHUBIRLSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001541941700 1071937893 /nfs/dbraw/zinc/93/78/93/1071937893.db2.gz PABDWNAOILHCKC-LIRRHRJNSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541941969 1071937843 /nfs/dbraw/zinc/93/78/43/1071937843.db2.gz USAXOPBHNFZTKM-HRCADAONSA-N 1 0 444.602 0.349 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541941970 1071937853 /nfs/dbraw/zinc/93/78/53/1071937853.db2.gz USAXOPBHNFZTKM-OWCLPIDISA-N 1 0 444.602 0.349 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001541942225 1071938330 /nfs/dbraw/zinc/93/83/30/1071938330.db2.gz ZNSJHSJUJQEMFK-AWEZNQCLSA-N 1 0 441.602 0.335 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001541942226 1071938278 /nfs/dbraw/zinc/93/82/78/1071938278.db2.gz ZNSJHSJUJQEMFK-CQSZACIVSA-N 1 0 441.602 0.335 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[N@H+](C)C1CC1 ZINC001541942715 1071938889 /nfs/dbraw/zinc/93/88/89/1071938889.db2.gz JAGAMSMAANWYPF-KBPBESRZSA-N 1 0 439.586 0.182 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[N@H+](C)C1CC1 ZINC001541942716 1071938928 /nfs/dbraw/zinc/93/89/28/1071938928.db2.gz JAGAMSMAANWYPF-KGLIPLIRSA-N 1 0 439.586 0.182 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001541942717 1071938873 /nfs/dbraw/zinc/93/88/73/1071938873.db2.gz JAGAMSMAANWYPF-UONOGXRCSA-N 1 0 439.586 0.182 20 0 ICADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[N@H+](C)C1CC1 ZINC001541942718 1071938921 /nfs/dbraw/zinc/93/89/21/1071938921.db2.gz JAGAMSMAANWYPF-ZIAGYGMSSA-N 1 0 439.586 0.182 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001541942749 1071938909 /nfs/dbraw/zinc/93/89/09/1071938909.db2.gz JYCSQKOEEJWANF-AUUYWEPGSA-N 1 0 426.587 0.724 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001541942750 1071938898 /nfs/dbraw/zinc/93/88/98/1071938898.db2.gz JYCSQKOEEJWANF-IFXJQAMLSA-N 1 0 426.587 0.724 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001541942751 1071938826 /nfs/dbraw/zinc/93/88/26/1071938826.db2.gz JYCSQKOEEJWANF-KUHUBIRLSA-N 1 0 426.587 0.724 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001541942752 1071938878 /nfs/dbraw/zinc/93/88/78/1071938878.db2.gz JYCSQKOEEJWANF-LIRRHRJNSA-N 1 0 426.587 0.724 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001541942865 1071938863 /nfs/dbraw/zinc/93/88/63/1071938863.db2.gz LSMMMONAPQZLEH-RDJZCZTQSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001541942866 1071939446 /nfs/dbraw/zinc/93/94/46/1071939446.db2.gz LSMMMONAPQZLEH-WBVHZDCISA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCn1cncn1 ZINC001541943393 1071939725 /nfs/dbraw/zinc/93/97/25/1071939725.db2.gz VSCWOHHCSFWVOD-HNNXBMFYSA-N 1 0 437.574 0.245 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCn1cncn1 ZINC001541943394 1071939818 /nfs/dbraw/zinc/93/98/18/1071939818.db2.gz VSCWOHHCSFWVOD-OAHLLOKOSA-N 1 0 437.574 0.245 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001541943941 1071940357 /nfs/dbraw/zinc/94/03/57/1071940357.db2.gz HBGYYTFPRIIJHX-FTRWYGJKSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001541943942 1071940321 /nfs/dbraw/zinc/94/03/21/1071940321.db2.gz HBGYYTFPRIIJHX-GQIGUUNPSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001541943943 1071940201 /nfs/dbraw/zinc/94/02/01/1071940201.db2.gz HBGYYTFPRIIJHX-GUXCAODWSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001541943944 1071940224 /nfs/dbraw/zinc/94/02/24/1071940224.db2.gz HBGYYTFPRIIJHX-TWOQFEAHSA-N 1 0 440.614 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944083 1071940335 /nfs/dbraw/zinc/94/03/35/1071940335.db2.gz JWTJBMUMVHWIJU-BRWVUGGUSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944084 1071940398 /nfs/dbraw/zinc/94/03/98/1071940398.db2.gz JWTJBMUMVHWIJU-GVDBMIGSSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944085 1071940278 /nfs/dbraw/zinc/94/02/78/1071940278.db2.gz JWTJBMUMVHWIJU-IXDOHACOSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944086 1071940936 /nfs/dbraw/zinc/94/09/36/1071940936.db2.gz JWTJBMUMVHWIJU-YESZJQIVSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCCO1 ZINC001541944316 1071940948 /nfs/dbraw/zinc/94/09/48/1071940948.db2.gz NLMFHNVLKBOMCM-DOTOQJQBSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCCO1 ZINC001541944317 1071940826 /nfs/dbraw/zinc/94/08/26/1071940826.db2.gz NLMFHNVLKBOMCM-NVXWUHKLSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1CCCO1 ZINC001541944318 1071940970 /nfs/dbraw/zinc/94/09/70/1071940970.db2.gz NLMFHNVLKBOMCM-RDJZCZTQSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1CCCO1 ZINC001541944319 1071940895 /nfs/dbraw/zinc/94/08/95/1071940895.db2.gz NLMFHNVLKBOMCM-WBVHZDCISA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@@H]1CCOC1 ZINC001541944414 1071940999 /nfs/dbraw/zinc/94/09/99/1071940999.db2.gz PCWAOXXJJQQFMN-DOTOQJQBSA-N 1 0 426.587 0.847 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@@H]1CCOC1 ZINC001541944415 1071940851 /nfs/dbraw/zinc/94/08/51/1071940851.db2.gz PCWAOXXJJQQFMN-NVXWUHKLSA-N 1 0 426.587 0.847 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@H]1CCOC1 ZINC001541944416 1071940808 /nfs/dbraw/zinc/94/08/08/1071940808.db2.gz PCWAOXXJJQQFMN-RDJZCZTQSA-N 1 0 426.587 0.847 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@H]1CCOC1 ZINC001541944417 1071940926 /nfs/dbraw/zinc/94/09/26/1071940926.db2.gz PCWAOXXJJQQFMN-WBVHZDCISA-N 1 0 426.587 0.847 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 ZINC001541944766 1071940902 /nfs/dbraw/zinc/94/09/02/1071940902.db2.gz WZEGPGVJMIUNQB-AWEZNQCLSA-N 1 0 437.561 0.616 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 ZINC001541944767 1071940975 /nfs/dbraw/zinc/94/09/75/1071940975.db2.gz WZEGPGVJMIUNQB-CQSZACIVSA-N 1 0 437.561 0.616 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC1(O)CC1 ZINC001541944778 1071940872 /nfs/dbraw/zinc/94/08/72/1071940872.db2.gz XBZNWRUAPHJIHK-HNNXBMFYSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC1(O)CC1 ZINC001541944779 1071940989 /nfs/dbraw/zinc/94/09/89/1071940989.db2.gz XBZNWRUAPHJIHK-OAHLLOKOSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOCC(F)F ZINC001541945332 1071941769 /nfs/dbraw/zinc/94/17/69/1071941769.db2.gz FPKDETBODFJOSR-KBPBESRZSA-N 1 0 436.529 0.845 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOCC(F)F ZINC001541945333 1071941838 /nfs/dbraw/zinc/94/18/38/1071941838.db2.gz FPKDETBODFJOSR-KGLIPLIRSA-N 1 0 436.529 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCOCC(F)F ZINC001541945334 1071941829 /nfs/dbraw/zinc/94/18/29/1071941829.db2.gz FPKDETBODFJOSR-UONOGXRCSA-N 1 0 436.529 0.845 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCOCC(F)F ZINC001541945335 1071941792 /nfs/dbraw/zinc/94/17/92/1071941792.db2.gz FPKDETBODFJOSR-ZIAGYGMSSA-N 1 0 436.529 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001541945500 1071942319 /nfs/dbraw/zinc/94/23/19/1071942319.db2.gz HZFRXOSRVLBKAE-HNNXBMFYSA-N 1 0 427.575 0.091 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001541945501 1071942387 /nfs/dbraw/zinc/94/23/87/1071942387.db2.gz HZFRXOSRVLBKAE-OAHLLOKOSA-N 1 0 427.575 0.091 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001541945752 1071942301 /nfs/dbraw/zinc/94/23/01/1071942301.db2.gz LDXPYAWEODKFLO-ILXRZTDVSA-N 1 0 441.558 0.013 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541945753 1071942396 /nfs/dbraw/zinc/94/23/96/1071942396.db2.gz LDXPYAWEODKFLO-KKUMJFAQSA-N 1 0 441.558 0.013 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001541945754 1071942372 /nfs/dbraw/zinc/94/23/72/1071942372.db2.gz LDXPYAWEODKFLO-QLFBSQMISA-N 1 0 441.558 0.013 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541945755 1071942341 /nfs/dbraw/zinc/94/23/41/1071942341.db2.gz LDXPYAWEODKFLO-SOUVJXGZSA-N 1 0 441.558 0.013 20 0 ICADRO CC(C)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001541945970 1071943294 /nfs/dbraw/zinc/94/32/94/1071943294.db2.gz NWGAVIMZHMIGER-CVEARBPZSA-N 1 0 446.643 0.798 20 0 ICADRO CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001541945971 1071943217 /nfs/dbraw/zinc/94/32/17/1071943217.db2.gz NWGAVIMZHMIGER-HOTGVXAUSA-N 1 0 446.643 0.798 20 0 ICADRO CC(C)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001541945972 1071943258 /nfs/dbraw/zinc/94/32/58/1071943258.db2.gz NWGAVIMZHMIGER-HZPDHXFCSA-N 1 0 446.643 0.798 20 0 ICADRO CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001541945973 1071943394 /nfs/dbraw/zinc/94/33/94/1071943394.db2.gz NWGAVIMZHMIGER-JKSUJKDBSA-N 1 0 446.643 0.798 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[C@H]1COCCO1 ZINC001541946600 1071944784 /nfs/dbraw/zinc/94/47/84/1071944784.db2.gz YDNMIUGLNCQBDO-BBWFWOEESA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[C@@H]1COCCO1 ZINC001541946601 1071944743 /nfs/dbraw/zinc/94/47/43/1071944743.db2.gz YDNMIUGLNCQBDO-GVDBMIGSSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[C@H]1COCCO1 ZINC001541946602 1071944771 /nfs/dbraw/zinc/94/47/71/1071944771.db2.gz YDNMIUGLNCQBDO-ULQDDVLXSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[C@@H]1COCCO1 ZINC001541946603 1071944807 /nfs/dbraw/zinc/94/48/07/1071944807.db2.gz YDNMIUGLNCQBDO-YESZJQIVSA-N 1 0 442.586 0.368 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001541947436 1071945721 /nfs/dbraw/zinc/94/57/21/1071945721.db2.gz KRCOQCVFEPARBX-BBWFWOEESA-N 1 0 444.602 0.613 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001541947437 1071945762 /nfs/dbraw/zinc/94/57/62/1071945762.db2.gz KRCOQCVFEPARBX-GVDBMIGSSA-N 1 0 444.602 0.613 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001541947438 1071945665 /nfs/dbraw/zinc/94/56/65/1071945665.db2.gz KRCOQCVFEPARBX-ULQDDVLXSA-N 1 0 444.602 0.613 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001541947439 1071945748 /nfs/dbraw/zinc/94/57/48/1071945748.db2.gz KRCOQCVFEPARBX-YESZJQIVSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541947956 1071946080 /nfs/dbraw/zinc/94/60/80/1071946080.db2.gz RMFKMENPRFVSQF-HNNXBMFYSA-N 1 0 444.602 0.350 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001541947957 1071946135 /nfs/dbraw/zinc/94/61/35/1071946135.db2.gz RMFKMENPRFVSQF-OAHLLOKOSA-N 1 0 444.602 0.350 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H]2C)CC1 ZINC001541948758 1071947198 /nfs/dbraw/zinc/94/71/98/1071947198.db2.gz CQPFKZKITDJDOD-CVEARBPZSA-N 1 0 444.602 0.349 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H]2C)CC1 ZINC001541948759 1071947063 /nfs/dbraw/zinc/94/70/63/1071947063.db2.gz CQPFKZKITDJDOD-HOTGVXAUSA-N 1 0 444.602 0.349 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H]2C)CC1 ZINC001541948760 1071947191 /nfs/dbraw/zinc/94/71/91/1071947191.db2.gz CQPFKZKITDJDOD-HZPDHXFCSA-N 1 0 444.602 0.349 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H]2C)CC1 ZINC001541948761 1071947043 /nfs/dbraw/zinc/94/70/43/1071947043.db2.gz CQPFKZKITDJDOD-JKSUJKDBSA-N 1 0 444.602 0.349 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001541948862 1071947142 /nfs/dbraw/zinc/94/71/42/1071947142.db2.gz FRNZUIWXSXIZLC-HNNXBMFYSA-N 1 0 446.643 0.722 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001541948863 1071947618 /nfs/dbraw/zinc/94/76/18/1071947618.db2.gz FRNZUIWXSXIZLC-OAHLLOKOSA-N 1 0 446.643 0.722 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001541949412 1071948915 /nfs/dbraw/zinc/94/89/15/1071948915.db2.gz OJXUOCVHFSWASU-BASYENTBSA-N 1 0 430.575 0.223 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001541949413 1071948811 /nfs/dbraw/zinc/94/88/11/1071948811.db2.gz OJXUOCVHFSWASU-LDDOYCOJSA-N 1 0 430.575 0.223 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001541949414 1071948825 /nfs/dbraw/zinc/94/88/25/1071948825.db2.gz OJXUOCVHFSWASU-OIPACUDHSA-N 1 0 430.575 0.223 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001541949415 1071948890 /nfs/dbraw/zinc/94/88/90/1071948890.db2.gz OJXUOCVHFSWASU-YRBFXIGRSA-N 1 0 430.575 0.223 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001541949564 1071948836 /nfs/dbraw/zinc/94/88/36/1071948836.db2.gz RIMWTRYZAFVDNQ-AWEZNQCLSA-N 1 0 440.595 0.845 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001541949565 1071948873 /nfs/dbraw/zinc/94/88/73/1071948873.db2.gz RIMWTRYZAFVDNQ-CQSZACIVSA-N 1 0 440.595 0.845 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001541950230 1071949760 /nfs/dbraw/zinc/94/97/60/1071949760.db2.gz CXCBWXQAJSKRRD-CVEARBPZSA-N 1 0 446.643 0.678 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001541950231 1071949836 /nfs/dbraw/zinc/94/98/36/1071949836.db2.gz CXCBWXQAJSKRRD-HOTGVXAUSA-N 1 0 446.643 0.678 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001541950232 1071949799 /nfs/dbraw/zinc/94/97/99/1071949799.db2.gz CXCBWXQAJSKRRD-HZPDHXFCSA-N 1 0 446.643 0.678 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001541950233 1071949708 /nfs/dbraw/zinc/94/97/08/1071949708.db2.gz CXCBWXQAJSKRRD-JKSUJKDBSA-N 1 0 446.643 0.678 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001541951152 1071950685 /nfs/dbraw/zinc/95/06/85/1071950685.db2.gz UHSNDACZRCQLOP-OAGGEKHMSA-N 1 0 441.602 0.191 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001541951153 1071950733 /nfs/dbraw/zinc/95/07/33/1071950733.db2.gz UHSNDACZRCQLOP-XHSDSOJGSA-N 1 0 441.602 0.191 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541951208 1071950701 /nfs/dbraw/zinc/95/07/01/1071950701.db2.gz VFFCITCUQTYPKO-CFAJVAMVSA-N 1 0 432.616 0.285 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541951209 1071950650 /nfs/dbraw/zinc/95/06/50/1071950650.db2.gz VFFCITCUQTYPKO-SZOQZIPDSA-N 1 0 432.616 0.285 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541951210 1071950625 /nfs/dbraw/zinc/95/06/25/1071950625.db2.gz VFFCITCUQTYPKO-ZJOBFFGXSA-N 1 0 432.616 0.285 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541951211 1071950708 /nfs/dbraw/zinc/95/07/08/1071950708.db2.gz VFFCITCUQTYPKO-ZOMKSWQUSA-N 1 0 432.616 0.285 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541951306 1071950741 /nfs/dbraw/zinc/95/07/41/1071950741.db2.gz WTSGQQSFFRXDQI-BBRMVZONSA-N 1 0 434.657 0.879 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541951307 1071950670 /nfs/dbraw/zinc/95/06/70/1071950670.db2.gz WTSGQQSFFRXDQI-CJNGLKHVSA-N 1 0 434.657 0.879 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541951308 1071950697 /nfs/dbraw/zinc/95/06/97/1071950697.db2.gz WTSGQQSFFRXDQI-CZUORRHYSA-N 1 0 434.657 0.879 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541951309 1071950661 /nfs/dbraw/zinc/95/06/61/1071950661.db2.gz WTSGQQSFFRXDQI-XJKSGUPXSA-N 1 0 434.657 0.879 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541951414 1071950752 /nfs/dbraw/zinc/95/07/52/1071950752.db2.gz YHKQDDYCGHGBNK-HNNXBMFYSA-N 1 0 445.659 0.468 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541951415 1071951146 /nfs/dbraw/zinc/95/11/46/1071951146.db2.gz YHKQDDYCGHGBNK-OAHLLOKOSA-N 1 0 445.659 0.468 20 0 ICADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2OCO[C@H]2C1)C(C)C ZINC001541951748 1071951251 /nfs/dbraw/zinc/95/12/51/1071951251.db2.gz FFWFDOZRYNZLLA-HRCADAONSA-N 1 0 430.575 0.569 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2OCO[C@H]2C1)C(C)C ZINC001541951749 1071951194 /nfs/dbraw/zinc/95/11/94/1071951194.db2.gz FFWFDOZRYNZLLA-OAGGEKHMSA-N 1 0 430.575 0.569 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001541952256 1071951730 /nfs/dbraw/zinc/95/17/30/1071951730.db2.gz QCSKGNZIYNPLFZ-HRCADAONSA-N 1 0 442.586 0.572 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001541952257 1071951796 /nfs/dbraw/zinc/95/17/96/1071951796.db2.gz QCSKGNZIYNPLFZ-OAGGEKHMSA-N 1 0 442.586 0.572 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001541952488 1071952256 /nfs/dbraw/zinc/95/22/56/1071952256.db2.gz VSJJNLAYKRHKLS-CAOSSQGBSA-N 1 0 442.586 0.570 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001541952489 1071952332 /nfs/dbraw/zinc/95/23/32/1071952332.db2.gz VSJJNLAYKRHKLS-JONQDZQNSA-N 1 0 442.586 0.570 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001541952490 1071952320 /nfs/dbraw/zinc/95/23/20/1071952320.db2.gz VSJJNLAYKRHKLS-LVQVYYBASA-N 1 0 442.586 0.570 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001541952491 1071952278 /nfs/dbraw/zinc/95/22/78/1071952278.db2.gz VSJJNLAYKRHKLS-WCVJEAGWSA-N 1 0 442.586 0.570 20 0 ICADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCNC(=O)C2)n1CC[N@@H+](C)C(C)C ZINC001542054846 1071961148 /nfs/dbraw/zinc/96/11/48/1071961148.db2.gz HKLQIIOJSGSXDT-UHFFFAOYSA-N 1 0 448.597 0.823 20 0 ICADRO Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)cnn1C ZINC001542072933 1071961596 /nfs/dbraw/zinc/96/15/96/1071961596.db2.gz PXYNGILAJJJIGH-GOSISDBHSA-N 1 0 432.573 0.941 20 0 ICADRO Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)cnn1C ZINC001542072934 1071961564 /nfs/dbraw/zinc/96/15/64/1071961564.db2.gz PXYNGILAJJJIGH-SFHVURJKSA-N 1 0 432.573 0.941 20 0 ICADRO Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cnn1C ZINC001542097939 1071964231 /nfs/dbraw/zinc/96/42/31/1071964231.db2.gz XYSUNQQRXVVANX-AWEZNQCLSA-N 1 0 438.602 0.899 20 0 ICADRO Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cnn1C ZINC001542097940 1071964144 /nfs/dbraw/zinc/96/41/44/1071964144.db2.gz XYSUNQQRXVVANX-CQSZACIVSA-N 1 0 438.602 0.899 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H]1c1nccn1C ZINC001542125060 1071965541 /nfs/dbraw/zinc/96/55/41/1071965541.db2.gz GPQCPFNZUQHANP-PMACEKPBSA-N 1 0 426.521 0.884 20 0 ICADRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001542125075 1071965656 /nfs/dbraw/zinc/96/56/56/1071965656.db2.gz HFXAEMDMXALZCK-INIZCTEOSA-N 1 0 445.563 0.150 20 0 ICADRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001542125076 1071965596 /nfs/dbraw/zinc/96/55/96/1071965596.db2.gz HFXAEMDMXALZCK-MRXNPFEDSA-N 1 0 445.563 0.150 20 0 ICADRO C[NH+](C)CCc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001542125303 1071966076 /nfs/dbraw/zinc/96/60/76/1071966076.db2.gz PKEQEHVDESAORL-GOSISDBHSA-N 1 0 443.591 0.065 20 0 ICADRO C[NH+](C)CCc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001542125304 1071966067 /nfs/dbraw/zinc/96/60/67/1071966067.db2.gz PKEQEHVDESAORL-SFHVURJKSA-N 1 0 443.591 0.065 20 0 ICADRO Cc1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)no1 ZINC001542193907 1071969558 /nfs/dbraw/zinc/96/95/58/1071969558.db2.gz GEDNIQMHRFLBGL-HNNXBMFYSA-N 1 0 426.543 0.691 20 0 ICADRO Cc1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)no1 ZINC001542193908 1071969587 /nfs/dbraw/zinc/96/95/87/1071969587.db2.gz GEDNIQMHRFLBGL-OAHLLOKOSA-N 1 0 426.543 0.691 20 0 ICADRO Cc1cc(CN2CCN(c3nnc(CN4CCCC4=O)n3C[C@H](C)[NH+](C)C)CC2)no1 ZINC001542216023 1071971019 /nfs/dbraw/zinc/97/10/19/1071971019.db2.gz BWUZGPJQVOZEOH-INIZCTEOSA-N 1 0 430.557 0.969 20 0 ICADRO Cc1cc(CN2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](C)[NH+](C)C)CC2)no1 ZINC001542216024 1071971036 /nfs/dbraw/zinc/97/10/36/1071971036.db2.gz BWUZGPJQVOZEOH-MRXNPFEDSA-N 1 0 430.557 0.969 20 0 ICADRO Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3CC3([NH+](C)C)CCOCC3)CC2)no1 ZINC001542233900 1071971629 /nfs/dbraw/zinc/97/16/29/1071971629.db2.gz FIOXDYWWFBAHJT-UHFFFAOYSA-N 1 0 446.556 0.754 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC001542269861 1071972627 /nfs/dbraw/zinc/97/26/27/1071972627.db2.gz KXYIQYPNSRZEDK-UHFFFAOYSA-N 1 0 437.610 0.977 20 0 ICADRO CC(C)[N@H+](C)CC1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001542278517 1071972588 /nfs/dbraw/zinc/97/25/88/1071972588.db2.gz JDFKCUKWAUWWLX-UHFFFAOYSA-N 1 0 445.607 0.947 20 0 ICADRO COC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001542307866 1071973535 /nfs/dbraw/zinc/97/35/35/1071973535.db2.gz FSAXATLGEVTJMC-DYESRHJHSA-N 1 0 427.542 0.820 20 0 ICADRO COC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001542307867 1071973642 /nfs/dbraw/zinc/97/36/42/1071973642.db2.gz FSAXATLGEVTJMC-LAUBAEHRSA-N 1 0 427.542 0.820 20 0 ICADRO COC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001542307868 1071973604 /nfs/dbraw/zinc/97/36/04/1071973604.db2.gz FSAXATLGEVTJMC-UTKZUKDTSA-N 1 0 427.542 0.820 20 0 ICADRO COC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001542307869 1071973675 /nfs/dbraw/zinc/97/36/75/1071973675.db2.gz FSAXATLGEVTJMC-UWJYYQICSA-N 1 0 427.542 0.820 20 0 ICADRO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC001542343913 1071975767 /nfs/dbraw/zinc/97/57/67/1071975767.db2.gz DZZLBPIAGFIYEY-IFXJQAMLSA-N 1 0 438.554 0.383 20 0 ICADRO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@]2(O)CC[N@H+](C)C2)o1 ZINC001542343914 1071975805 /nfs/dbraw/zinc/97/58/05/1071975805.db2.gz DZZLBPIAGFIYEY-LIRRHRJNSA-N 1 0 438.554 0.383 20 0 ICADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)c1ccccc1O2 ZINC001542345132 1071976428 /nfs/dbraw/zinc/97/64/28/1071976428.db2.gz OPVGXUCSNCBCPX-INIZCTEOSA-N 1 0 441.488 0.542 20 0 ICADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)c1ccccc1O2 ZINC001542345133 1071976309 /nfs/dbraw/zinc/97/63/09/1071976309.db2.gz OPVGXUCSNCBCPX-MRXNPFEDSA-N 1 0 441.488 0.542 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)[C@@H](O)C(=O)N2C)cn1 ZINC001542359662 1071977374 /nfs/dbraw/zinc/97/73/74/1071977374.db2.gz RHLCXWRWOAXARZ-VAMGGRTRSA-N 1 0 425.533 0.863 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC001542368941 1071977400 /nfs/dbraw/zinc/97/74/00/1071977400.db2.gz ATKJEFFNXSTHCB-UHFFFAOYSA-N 1 0 432.569 0.869 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 ZINC001542369535 1071977863 /nfs/dbraw/zinc/97/78/63/1071977863.db2.gz SXJXQHRTHSTJRC-UHFFFAOYSA-N 1 0 432.529 0.730 20 0 ICADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001542369598 1071977916 /nfs/dbraw/zinc/97/79/16/1071977916.db2.gz VZASPCFOMBAROD-UHFFFAOYSA-N 1 0 439.582 0.594 20 0 ICADRO C[NH+](C)CCn1c2cc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)ccc2[nH]c1=O ZINC001542421653 1071980349 /nfs/dbraw/zinc/98/03/49/1071980349.db2.gz OYBVJGRKOUWJPY-UHFFFAOYSA-N 1 0 437.504 0.760 20 0 ICADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001542449268 1071981872 /nfs/dbraw/zinc/98/18/72/1071981872.db2.gz CASWGQVXEORXFE-GOSISDBHSA-N 1 0 446.577 0.977 20 0 ICADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001542449269 1071981918 /nfs/dbraw/zinc/98/19/18/1071981918.db2.gz CASWGQVXEORXFE-SFHVURJKSA-N 1 0 446.577 0.977 20 0 ICADRO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001542465125 1071982427 /nfs/dbraw/zinc/98/24/27/1071982427.db2.gz ZRTCSOKLTXXALB-GQIGUUNPSA-N 1 0 427.567 0.965 20 0 ICADRO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001542465126 1071982473 /nfs/dbraw/zinc/98/24/73/1071982473.db2.gz ZRTCSOKLTXXALB-JXXFODFXSA-N 1 0 427.567 0.965 20 0 ICADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001542480838 1071982466 /nfs/dbraw/zinc/98/24/66/1071982466.db2.gz KGIPQHSLLQWUCC-CTNGQTDRSA-N 1 0 437.562 0.303 20 0 ICADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001542480839 1071982379 /nfs/dbraw/zinc/98/23/79/1071982379.db2.gz KGIPQHSLLQWUCC-FPOVZHCZSA-N 1 0 437.562 0.303 20 0 ICADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001542480840 1071982830 /nfs/dbraw/zinc/98/28/30/1071982830.db2.gz KGIPQHSLLQWUCC-PZJWPPBQSA-N 1 0 437.562 0.303 20 0 ICADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001542480841 1071982740 /nfs/dbraw/zinc/98/27/40/1071982740.db2.gz KGIPQHSLLQWUCC-TZIWHRDSSA-N 1 0 437.562 0.303 20 0 ICADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)cc21 ZINC001542481013 1071982752 /nfs/dbraw/zinc/98/27/52/1071982752.db2.gz RFDPKGZKBRJMMT-AWEZNQCLSA-N 1 0 431.424 0.420 20 0 ICADRO C[NH+](C)CCn1ccc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 ZINC001542487642 1071983353 /nfs/dbraw/zinc/98/33/53/1071983353.db2.gz VLCYMOYQDJUVAR-AWEZNQCLSA-N 1 0 429.543 0.807 20 0 ICADRO C[NH+](C)CCn1ccc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 ZINC001542487643 1071983292 /nfs/dbraw/zinc/98/32/92/1071983292.db2.gz VLCYMOYQDJUVAR-CQSZACIVSA-N 1 0 429.543 0.807 20 0 ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001542526110 1071984496 /nfs/dbraw/zinc/98/44/96/1071984496.db2.gz NKCFOSSQPJRKAQ-UHFFFAOYSA-N 1 0 440.566 0.640 20 0 ICADRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)cn2)CC1 ZINC001542529521 1071984483 /nfs/dbraw/zinc/98/44/83/1071984483.db2.gz DBWCTSMVFRNLBK-UHFFFAOYSA-N 1 0 433.553 0.935 20 0 ICADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535883 1071985571 /nfs/dbraw/zinc/98/55/71/1071985571.db2.gz URRVVVLTOFMPDI-CVEARBPZSA-N 1 0 443.591 0.734 20 0 ICADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535884 1071985529 /nfs/dbraw/zinc/98/55/29/1071985529.db2.gz URRVVVLTOFMPDI-HOTGVXAUSA-N 1 0 443.591 0.734 20 0 ICADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535885 1071985415 /nfs/dbraw/zinc/98/54/15/1071985415.db2.gz URRVVVLTOFMPDI-HZPDHXFCSA-N 1 0 443.591 0.734 20 0 ICADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535886 1071985375 /nfs/dbraw/zinc/98/53/75/1071985375.db2.gz URRVVVLTOFMPDI-JKSUJKDBSA-N 1 0 443.591 0.734 20 0 ICADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001542544129 1071985350 /nfs/dbraw/zinc/98/53/50/1071985350.db2.gz DGXCJGVCCIIIJH-INIZCTEOSA-N 1 0 444.001 0.884 20 0 ICADRO NS(=O)(=O)NC[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001542544139 1071985402 /nfs/dbraw/zinc/98/54/02/1071985402.db2.gz DGXCJGVCCIIIJH-MRXNPFEDSA-N 1 0 444.001 0.884 20 0 ICADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC001542546167 1071985847 /nfs/dbraw/zinc/98/58/47/1071985847.db2.gz PPPVMTZBXFOYAN-IRFCIJBXSA-N 1 0 436.578 0.557 20 0 ICADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC001542546168 1071985956 /nfs/dbraw/zinc/98/59/56/1071985956.db2.gz PPPVMTZBXFOYAN-QKNQBKEWSA-N 1 0 436.578 0.557 20 0 ICADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC001542546169 1071985889 /nfs/dbraw/zinc/98/58/89/1071985889.db2.gz PPPVMTZBXFOYAN-ZJOUEHCJSA-N 1 0 436.578 0.557 20 0 ICADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC001542546170 1071985871 /nfs/dbraw/zinc/98/58/71/1071985871.db2.gz PPPVMTZBXFOYAN-ZVDOUQERSA-N 1 0 436.578 0.557 20 0 ICADRO Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[NH+]2CCSCC2)n1 ZINC001542547684 1071985918 /nfs/dbraw/zinc/98/59/18/1071985918.db2.gz YWNOCQJTGUEJIN-UHFFFAOYSA-N 1 0 445.593 0.992 20 0 ICADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001542572280 1071987024 /nfs/dbraw/zinc/98/70/24/1071987024.db2.gz KIMLNOIZFKMGOL-UHFFFAOYSA-N 1 0 444.532 0.790 20 0 ICADRO Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001542576615 1071987457 /nfs/dbraw/zinc/98/74/57/1071987457.db2.gz SXKKXDLSWYINNM-UHFFFAOYSA-N 1 0 436.582 0.976 20 0 ICADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001542598124 1071988439 /nfs/dbraw/zinc/98/84/39/1071988439.db2.gz IHJJUQQTRYDABO-PBHICJAKSA-N 1 0 431.580 0.347 20 0 ICADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001542598125 1071988508 /nfs/dbraw/zinc/98/85/08/1071988508.db2.gz IHJJUQQTRYDABO-RHSMWYFYSA-N 1 0 431.580 0.347 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001542598126 1071988535 /nfs/dbraw/zinc/98/85/35/1071988535.db2.gz IHJJUQQTRYDABO-WMLDXEAASA-N 1 0 431.580 0.347 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001542598127 1071988475 /nfs/dbraw/zinc/98/84/75/1071988475.db2.gz IHJJUQQTRYDABO-YOEHRIQHSA-N 1 0 431.580 0.347 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001542598151 1071988544 /nfs/dbraw/zinc/98/85/44/1071988544.db2.gz JLWOWQAXKOFTGU-INIZCTEOSA-N 1 0 425.551 0.530 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001542598152 1071988502 /nfs/dbraw/zinc/98/85/02/1071988502.db2.gz JLWOWQAXKOFTGU-MRXNPFEDSA-N 1 0 425.551 0.530 20 0 ICADRO Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001542617103 1071988944 /nfs/dbraw/zinc/98/89/44/1071988944.db2.gz CNOIWLCKPPZXON-FQEVSTJZSA-N 1 0 449.581 0.233 20 0 ICADRO Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001542617104 1071988918 /nfs/dbraw/zinc/98/89/18/1071988918.db2.gz CNOIWLCKPPZXON-HXUWFJFHSA-N 1 0 449.581 0.233 20 0 ICADRO Cc1cccc(-c2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCOCC[NH+](C)C)n1 ZINC001542618869 1071989445 /nfs/dbraw/zinc/98/94/45/1071989445.db2.gz PULATHPSFNEKJB-UHFFFAOYSA-N 1 0 438.536 0.883 20 0 ICADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001542619775 1071989462 /nfs/dbraw/zinc/98/94/62/1071989462.db2.gz YSSSRXPQIPBKPO-CYBMUJFWSA-N 1 0 427.431 0.787 20 0 ICADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001542621420 1071989455 /nfs/dbraw/zinc/98/94/55/1071989455.db2.gz RJQNPENOALOVRM-UHFFFAOYSA-N 1 0 428.461 0.724 20 0 ICADRO C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637538 1071990983 /nfs/dbraw/zinc/99/09/83/1071990983.db2.gz BFGGIOHVAVVOGX-DNVFCKCGSA-N 1 0 446.548 0.852 20 0 ICADRO C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637539 1071991023 /nfs/dbraw/zinc/99/10/23/1071991023.db2.gz BFGGIOHVAVVOGX-SELNLUPBSA-N 1 0 446.548 0.852 20 0 ICADRO C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637540 1071991105 /nfs/dbraw/zinc/99/11/05/1071991105.db2.gz BFGGIOHVAVVOGX-SFYKDHMMSA-N 1 0 446.548 0.852 20 0 ICADRO C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637541 1071990987 /nfs/dbraw/zinc/99/09/87/1071990987.db2.gz BFGGIOHVAVVOGX-YCRNBWNJSA-N 1 0 446.548 0.852 20 0 ICADRO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001542637784 1071990973 /nfs/dbraw/zinc/99/09/73/1071990973.db2.gz KOJDJFUAEYFBEN-AWEZNQCLSA-N 1 0 435.529 0.387 20 0 ICADRO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001542637785 1071991034 /nfs/dbraw/zinc/99/10/34/1071991034.db2.gz KOJDJFUAEYFBEN-CQSZACIVSA-N 1 0 435.529 0.387 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1 ZINC001542637978 1071991010 /nfs/dbraw/zinc/99/10/10/1071991010.db2.gz QSQWQJSCLDMBHW-DLBZAZTESA-N 1 0 429.521 0.702 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 ZINC001542637979 1071991075 /nfs/dbraw/zinc/99/10/75/1071991075.db2.gz QSQWQJSCLDMBHW-IAGOWNOFSA-N 1 0 429.521 0.702 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1 ZINC001542637980 1071991053 /nfs/dbraw/zinc/99/10/53/1071991053.db2.gz QSQWQJSCLDMBHW-IRXDYDNUSA-N 1 0 429.521 0.702 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 ZINC001542637981 1071990944 /nfs/dbraw/zinc/99/09/44/1071990944.db2.gz QSQWQJSCLDMBHW-SJORKVTESA-N 1 0 429.521 0.702 20 0 ICADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC001542638033 1071991113 /nfs/dbraw/zinc/99/11/13/1071991113.db2.gz SSVJBADIIXIZJK-GFCCVEGCSA-N 1 0 436.314 0.742 20 0 ICADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC001542638034 1071991060 /nfs/dbraw/zinc/99/10/60/1071991060.db2.gz SSVJBADIIXIZJK-LBPRGKRZSA-N 1 0 436.314 0.742 20 0 ICADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC001542638064 1071990997 /nfs/dbraw/zinc/99/09/97/1071990997.db2.gz UKXSXTLDGSGNFM-GOSISDBHSA-N 1 0 436.578 0.863 20 0 ICADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC001542638065 1071991092 /nfs/dbraw/zinc/99/10/92/1071991092.db2.gz UKXSXTLDGSGNFM-SFHVURJKSA-N 1 0 436.578 0.863 20 0 ICADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001542638084 1071991506 /nfs/dbraw/zinc/99/15/06/1071991506.db2.gz UYFSVXUUDQFRQN-CVEARBPZSA-N 1 0 439.557 0.158 20 0 ICADRO 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CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1=O ZINC001542652476 1071992052 /nfs/dbraw/zinc/99/20/52/1071992052.db2.gz CGSPPJDBHXGPEQ-BZSNNMDCSA-N 1 0 438.569 0.807 20 0 ICADRO CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1=O ZINC001542652477 1071992169 /nfs/dbraw/zinc/99/21/69/1071992169.db2.gz CGSPPJDBHXGPEQ-KSZLIROESA-N 1 0 438.569 0.807 20 0 ICADRO CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1=O ZINC001542652478 1071992136 /nfs/dbraw/zinc/99/21/36/1071992136.db2.gz CGSPPJDBHXGPEQ-OKZBNKHCSA-N 1 0 438.569 0.807 20 0 ICADRO CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O ZINC001542652479 1071992182 /nfs/dbraw/zinc/99/21/82/1071992182.db2.gz CGSPPJDBHXGPEQ-RCCFBDPRSA-N 1 0 438.569 0.807 20 0 ICADRO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC001542655608 1071992824 /nfs/dbraw/zinc/99/28/24/1071992824.db2.gz GQQHIMHVRXVOPF-INIZCTEOSA-N 1 0 447.540 0.624 20 0 ICADRO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC001542655609 1071992673 /nfs/dbraw/zinc/99/26/73/1071992673.db2.gz GQQHIMHVRXVOPF-MRXNPFEDSA-N 1 0 447.540 0.624 20 0 ICADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001542655726 1071992660 /nfs/dbraw/zinc/99/26/60/1071992660.db2.gz KIZROBKOESUJTK-HNNXBMFYSA-N 1 0 448.325 0.979 20 0 ICADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001542655727 1071992738 /nfs/dbraw/zinc/99/27/38/1071992738.db2.gz KIZROBKOESUJTK-OAHLLOKOSA-N 1 0 448.325 0.979 20 0 ICADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001542656227 1071992688 /nfs/dbraw/zinc/99/26/88/1071992688.db2.gz XNXBONIHOYVRTF-GOSISDBHSA-N 1 0 437.585 0.916 20 0 ICADRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001542656228 1071992771 /nfs/dbraw/zinc/99/27/71/1071992771.db2.gz XNXBONIHOYVRTF-SFHVURJKSA-N 1 0 437.585 0.916 20 0 ICADRO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCNS(C)(=O)=O ZINC001542723627 1071996318 /nfs/dbraw/zinc/99/63/18/1071996318.db2.gz PCFCHINYDCORRE-GOSISDBHSA-N 1 0 448.593 0.961 20 0 ICADRO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCNS(C)(=O)=O ZINC001542723628 1071996544 /nfs/dbraw/zinc/99/65/44/1071996544.db2.gz PCFCHINYDCORRE-SFHVURJKSA-N 1 0 448.593 0.961 20 0 ICADRO Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001542727933 1071996466 /nfs/dbraw/zinc/99/64/66/1071996466.db2.gz QTFIYOQLGGGCEJ-AWEZNQCLSA-N 1 0 430.596 0.598 20 0 ICADRO Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001542727934 1071996352 /nfs/dbraw/zinc/99/63/52/1071996352.db2.gz QTFIYOQLGGGCEJ-CQSZACIVSA-N 1 0 430.596 0.598 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001542727949 1071996328 /nfs/dbraw/zinc/99/63/28/1071996328.db2.gz RBJSMOCMMYIDBG-KRWDZBQOSA-N 1 0 449.556 0.742 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001542727950 1071996396 /nfs/dbraw/zinc/99/63/96/1071996396.db2.gz RBJSMOCMMYIDBG-QGZVFWFLSA-N 1 0 449.556 0.742 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1nc(N(C)C)ncc1Br ZINC001542727988 1071996514 /nfs/dbraw/zinc/99/65/14/1071996514.db2.gz SEEUMQWCVSDFKU-CYBMUJFWSA-N 1 0 427.347 0.978 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nc(N(C)C)ncc1Br ZINC001542727989 1071996860 /nfs/dbraw/zinc/99/68/60/1071996860.db2.gz SEEUMQWCVSDFKU-ZDUSSCGKSA-N 1 0 427.347 0.978 20 0 ICADRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001542728006 1071996847 /nfs/dbraw/zinc/99/68/47/1071996847.db2.gz STHVTTQYRDMUJW-GJZGRUSLSA-N 1 0 428.530 0.502 20 0 ICADRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001542728007 1071996944 /nfs/dbraw/zinc/99/69/44/1071996944.db2.gz STHVTTQYRDMUJW-LSDHHAIUSA-N 1 0 428.530 0.502 20 0 ICADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001542736780 1071996979 /nfs/dbraw/zinc/99/69/79/1071996979.db2.gz STAOSLIFEUARTI-UHFFFAOYSA-N 1 0 432.502 0.962 20 0 ICADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC001542741388 1071999511 /nfs/dbraw/zinc/99/95/11/1071999511.db2.gz IINDUFUNPOPYJV-GASCZTMLSA-N 1 0 433.578 0.929 20 0 ICADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC001542741389 1071999547 /nfs/dbraw/zinc/99/95/47/1071999547.db2.gz IINDUFUNPOPYJV-GJZGRUSLSA-N 1 0 433.578 0.929 20 0 ICADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC001542741390 1071999563 /nfs/dbraw/zinc/99/95/63/1071999563.db2.gz IINDUFUNPOPYJV-HUUCEWRRSA-N 1 0 433.578 0.929 20 0 ICADRO COCCn1cc(N2C[C@H](C(=O)N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)CC2=O)cn1 ZINC001542741527 1071999525 /nfs/dbraw/zinc/99/95/25/1071999525.db2.gz LNHGWHZDUOOVNM-HSALFYBXSA-N 1 0 446.596 0.899 20 0 ICADRO 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ZINC001542953528 1072019082 /nfs/dbraw/zinc/01/90/82/1072019082.db2.gz NFTRKVYIUOECLM-UHFFFAOYSA-N 1 0 430.596 0.261 20 0 ICADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953586 1072019180 /nfs/dbraw/zinc/01/91/80/1072019180.db2.gz PFQABVMKXRTNNQ-DLBZAZTESA-N 1 0 425.574 0.596 20 0 ICADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953587 1072019013 /nfs/dbraw/zinc/01/90/13/1072019013.db2.gz PFQABVMKXRTNNQ-IAGOWNOFSA-N 1 0 425.574 0.596 20 0 ICADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953588 1072019285 /nfs/dbraw/zinc/01/92/85/1072019285.db2.gz PFQABVMKXRTNNQ-IRXDYDNUSA-N 1 0 425.574 0.596 20 0 ICADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953589 1072019115 /nfs/dbraw/zinc/01/91/15/1072019115.db2.gz PFQABVMKXRTNNQ-SJORKVTESA-N 1 0 425.574 0.596 20 0 ICADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001542953756 1072019157 /nfs/dbraw/zinc/01/91/57/1072019157.db2.gz VCDMHNSUYTUPTO-KRWDZBQOSA-N 1 0 438.594 0.588 20 0 ICADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001542953757 1072019232 /nfs/dbraw/zinc/01/92/32/1072019232.db2.gz VCDMHNSUYTUPTO-QGZVFWFLSA-N 1 0 438.594 0.588 20 0 ICADRO COC(=O)[C@@H]1CCCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1=O ZINC001542953789 1072019046 /nfs/dbraw/zinc/01/90/46/1072019046.db2.gz WKXWEDXHVYQKCH-GOSISDBHSA-N 1 0 436.553 0.239 20 0 ICADRO COC(=O)[C@H]1CCCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1=O ZINC001542953790 1072018980 /nfs/dbraw/zinc/01/89/80/1072018980.db2.gz WKXWEDXHVYQKCH-SFHVURJKSA-N 1 0 436.553 0.239 20 0 ICADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC001542955105 1072019137 /nfs/dbraw/zinc/01/91/37/1072019137.db2.gz VQNZYHDIYMFQPO-UHFFFAOYSA-N 1 0 439.582 0.738 20 0 ICADRO C[NH+](C)CCOC1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001542956491 1072019221 /nfs/dbraw/zinc/01/92/21/1072019221.db2.gz 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ICADRO Cc1nccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001542968575 1072022808 /nfs/dbraw/zinc/02/28/08/1072022808.db2.gz YFUONMRHROQTDH-QGZVFWFLSA-N 1 0 427.557 0.994 20 0 ICADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)n(C)n1 ZINC001542997854 1072026247 /nfs/dbraw/zinc/02/62/47/1072026247.db2.gz AMZSSMDUYLKZLU-HNNXBMFYSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)n(C)n1 ZINC001542997855 1072026388 /nfs/dbraw/zinc/02/63/88/1072026388.db2.gz AMZSSMDUYLKZLU-OAHLLOKOSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)n(C)n1 ZINC001542998278 1072026407 /nfs/dbraw/zinc/02/64/07/1072026407.db2.gz MPVJYXAGSMYPOT-UHFFFAOYSA-N 1 0 430.557 0.808 20 0 ICADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)C2)n1 ZINC001543003882 1072027642 /nfs/dbraw/zinc/02/76/42/1072027642.db2.gz JQLUTMOYOBNOQB-MSOLQXFVSA-N 1 0 445.572 0.857 20 0 ICADRO 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1 0 425.551 0.605 20 0 ICADRO C[N@H+](CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CCC[C@H]1O ZINC001543068114 1072036327 /nfs/dbraw/zinc/03/63/27/1072036327.db2.gz HZGPYOPMXNSROZ-QXAKKESOSA-N 1 0 425.551 0.605 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001543069113 1072036735 /nfs/dbraw/zinc/03/67/35/1072036735.db2.gz KZOJZFZFBQZLEX-DENIHFKCSA-N 1 0 447.584 0.837 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001543069114 1072036664 /nfs/dbraw/zinc/03/66/64/1072036664.db2.gz KZOJZFZFBQZLEX-KNQAVFIVSA-N 1 0 447.584 0.837 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001543069115 1072036855 /nfs/dbraw/zinc/03/68/55/1072036855.db2.gz KZOJZFZFBQZLEX-SIKLNZKXSA-N 1 0 447.584 0.837 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001543069116 1072036963 /nfs/dbraw/zinc/03/69/63/1072036963.db2.gz KZOJZFZFBQZLEX-UGKGYDQZSA-N 1 0 447.584 0.837 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001543072332 1072036876 /nfs/dbraw/zinc/03/68/76/1072036876.db2.gz PNFSOWQOIDOQCQ-UHFFFAOYSA-N 1 0 448.641 0.734 20 0 ICADRO CCOC(=O)[C@H]1CCCN(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001543079177 1072037432 /nfs/dbraw/zinc/03/74/32/1072037432.db2.gz JZKFFOGCYHLGTA-IBGZPJMESA-N 1 0 432.569 0.770 20 0 ICADRO CCOC(=O)[C@@H]1CCCN(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001543079181 1072037562 /nfs/dbraw/zinc/03/75/62/1072037562.db2.gz JZKFFOGCYHLGTA-LJQANCHMSA-N 1 0 432.569 0.770 20 0 ICADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001543080264 1072037510 /nfs/dbraw/zinc/03/75/10/1072037510.db2.gz XYEWRWVXAJAREF-UHFFFAOYSA-N 1 0 447.584 0.305 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@H+](C)C1CC1)C2 ZINC001543091281 1072039217 /nfs/dbraw/zinc/03/92/17/1072039217.db2.gz OLJXUMGHRAXEEZ-CHWSQXEVSA-N 1 0 437.574 0.291 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@H+](C)C1CC1)C2 ZINC001543091282 1072039304 /nfs/dbraw/zinc/03/93/04/1072039304.db2.gz OLJXUMGHRAXEEZ-OLZOCXBDSA-N 1 0 437.574 0.291 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@H+](C)C1CC1)C2 ZINC001543091283 1072039464 /nfs/dbraw/zinc/03/94/64/1072039464.db2.gz OLJXUMGHRAXEEZ-QWHCGFSZSA-N 1 0 437.574 0.291 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@H+](C)C1CC1)C2 ZINC001543091284 1072039503 /nfs/dbraw/zinc/03/95/03/1072039503.db2.gz OLJXUMGHRAXEEZ-STQMWFEESA-N 1 0 437.574 0.291 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[NH+]1CCCC1)C2 ZINC001543091324 1072040032 /nfs/dbraw/zinc/04/00/32/1072040032.db2.gz QGIGGRPNAYRBNO-AWEZNQCLSA-N 1 0 437.574 0.294 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[NH+]1CCCC1)C2 ZINC001543091325 1072040222 /nfs/dbraw/zinc/04/02/22/1072040222.db2.gz QGIGGRPNAYRBNO-CQSZACIVSA-N 1 0 437.574 0.294 20 0 ICADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001543092585 1072040287 /nfs/dbraw/zinc/04/02/87/1072040287.db2.gz YXUFNQCERSZZLP-CYBMUJFWSA-N 1 0 446.957 0.286 20 0 ICADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001543092587 1072039936 /nfs/dbraw/zinc/03/99/36/1072039936.db2.gz YXUFNQCERSZZLP-ZDUSSCGKSA-N 1 0 446.957 0.286 20 0 ICADRO Cc1nnc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CC=CCC3)CCO2)o1 ZINC001543094286 1072040810 /nfs/dbraw/zinc/04/08/10/1072040810.db2.gz DYEGAXGULUEFEN-INIZCTEOSA-N 1 0 430.513 0.948 20 0 ICADRO Cc1nnc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CC=CCC3)CCO2)o1 ZINC001543094287 1072040664 /nfs/dbraw/zinc/04/06/64/1072040664.db2.gz DYEGAXGULUEFEN-MRXNPFEDSA-N 1 0 430.513 0.948 20 0 ICADRO Cc1nnc([C@H]2CN(c3nnc(C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097714 1072041371 /nfs/dbraw/zinc/04/13/71/1072041371.db2.gz ISMFGSSMYZWKBE-DLBZAZTESA-N 1 0 432.529 0.799 20 0 ICADRO Cc1nnc([C@H]2CN(c3nnc(C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097715 1072041186 /nfs/dbraw/zinc/04/11/86/1072041186.db2.gz ISMFGSSMYZWKBE-IAGOWNOFSA-N 1 0 432.529 0.799 20 0 ICADRO Cc1nnc([C@@H]2CN(c3nnc(C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097716 1072041267 /nfs/dbraw/zinc/04/12/67/1072041267.db2.gz ISMFGSSMYZWKBE-IRXDYDNUSA-N 1 0 432.529 0.799 20 0 ICADRO Cc1nnc([C@@H]2CN(c3nnc(C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097717 1072041425 /nfs/dbraw/zinc/04/14/25/1072041425.db2.gz ISMFGSSMYZWKBE-SJORKVTESA-N 1 0 432.529 0.799 20 0 ICADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001543113095 1072043056 /nfs/dbraw/zinc/04/30/56/1072043056.db2.gz DLJLYNFPGVHGPF-HNNXBMFYSA-N 1 0 443.591 0.573 20 0 ICADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001543113098 1072043143 /nfs/dbraw/zinc/04/31/43/1072043143.db2.gz DLJLYNFPGVHGPF-OAHLLOKOSA-N 1 0 443.591 0.573 20 0 ICADRO Cn1nc2c(c1C(=O)Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)CS(=O)(=O)CC2 ZINC001543115993 1072042863 /nfs/dbraw/zinc/04/28/63/1072042863.db2.gz CUNRGWOHYPCCCU-UHFFFAOYSA-N 1 0 445.545 0.841 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC001543116750 1072042974 /nfs/dbraw/zinc/04/29/74/1072042974.db2.gz DPCTXBVQQWRSDC-DYEKYZERSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC001543116751 1072043199 /nfs/dbraw/zinc/04/31/99/1072043199.db2.gz DPCTXBVQQWRSDC-MBNYWOFBSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC001543116752 1072043116 /nfs/dbraw/zinc/04/31/16/1072043116.db2.gz DPCTXBVQQWRSDC-OBJOEFQTSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC001543116753 1072042882 /nfs/dbraw/zinc/04/28/82/1072042882.db2.gz DPCTXBVQQWRSDC-SGMGOOAPSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC001543117429 1072043635 /nfs/dbraw/zinc/04/36/35/1072043635.db2.gz YLUDTIMWXDAHOA-GXTWGEPZSA-N 1 0 440.599 0.771 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC001543117430 1072043684 /nfs/dbraw/zinc/04/36/84/1072043684.db2.gz YLUDTIMWXDAHOA-JSGCOSHPSA-N 1 0 440.599 0.771 20 0 ICADRO Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC001543117431 1072043484 /nfs/dbraw/zinc/04/34/84/1072043484.db2.gz YLUDTIMWXDAHOA-OCCSQVGLSA-N 1 0 440.599 0.771 20 0 ICADRO Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC001543117432 1072043535 /nfs/dbraw/zinc/04/35/35/1072043535.db2.gz YLUDTIMWXDAHOA-TZMCWYRMSA-N 1 0 440.599 0.771 20 0 ICADRO Cc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001543136964 1072045020 /nfs/dbraw/zinc/04/50/20/1072045020.db2.gz HGKWYYOCOUPCIT-UHFFFAOYSA-N 1 0 438.602 0.712 20 0 ICADRO Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001543137367 1072045535 /nfs/dbraw/zinc/04/55/35/1072045535.db2.gz LLPSYSTXBUYBQA-UHFFFAOYSA-N 1 0 442.564 0.887 20 0 ICADRO Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001543137519 1072045304 /nfs/dbraw/zinc/04/53/04/1072045304.db2.gz MZKXPOANPKOPGT-UHFFFAOYSA-N 1 0 442.564 0.887 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001543148842 1072045912 /nfs/dbraw/zinc/04/59/12/1072045912.db2.gz CBISBCIWSBYVJK-CYBMUJFWSA-N 1 0 428.942 0.804 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC001543148844 1072046082 /nfs/dbraw/zinc/04/60/82/1072046082.db2.gz CBISBCIWSBYVJK-ZDUSSCGKSA-N 1 0 428.942 0.804 20 0 ICADRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001543167267 1072047403 /nfs/dbraw/zinc/04/74/03/1072047403.db2.gz CSYHGYGLSAEWFZ-UHFFFAOYSA-N 1 0 427.553 0.704 20 0 ICADRO CN1CCn2ncc(C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)c2S1(=O)=O ZINC001543172405 1072047868 /nfs/dbraw/zinc/04/78/68/1072047868.db2.gz WACOCOMBWYOFBR-UHFFFAOYSA-N 1 0 446.577 0.849 20 0 ICADRO Cc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184701 1072048359 /nfs/dbraw/zinc/04/83/59/1072048359.db2.gz NSXBXGNLCLNTLN-DFQSSKMNSA-N 1 0 433.601 0.686 20 0 ICADRO Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184702 1072048490 /nfs/dbraw/zinc/04/84/90/1072048490.db2.gz NSXBXGNLCLNTLN-IHPCNDPISA-N 1 0 433.601 0.686 20 0 ICADRO Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184703 1072048648 /nfs/dbraw/zinc/04/86/48/1072048648.db2.gz NSXBXGNLCLNTLN-SXLOBPIMSA-N 1 0 433.601 0.686 20 0 ICADRO Cc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184704 1072048754 /nfs/dbraw/zinc/04/87/54/1072048754.db2.gz NSXBXGNLCLNTLN-YSIASYRMSA-N 1 0 433.601 0.686 20 0 ICADRO Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001543200237 1072049120 /nfs/dbraw/zinc/04/91/20/1072049120.db2.gz BJLAAZJHEMFLTE-UHFFFAOYSA-N 1 0 434.585 0.897 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001543203146 1072049296 /nfs/dbraw/zinc/04/92/96/1072049296.db2.gz HLACQXLDSLRRGM-UHFFFAOYSA-N 1 0 441.527 0.786 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC001543203711 1072049348 /nfs/dbraw/zinc/04/93/48/1072049348.db2.gz ZJPAUHPNNLWLKA-UHFFFAOYSA-N 1 0 441.598 0.931 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001543204003 1072049870 /nfs/dbraw/zinc/04/98/70/1072049870.db2.gz RROOXSLHTPMSLZ-HTAPYJJXSA-N 1 0 434.585 0.945 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001543204004 1072049862 /nfs/dbraw/zinc/04/98/62/1072049862.db2.gz RROOXSLHTPMSLZ-JTSKRJEESA-N 1 0 434.585 0.945 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001543204005 1072049691 /nfs/dbraw/zinc/04/96/91/1072049691.db2.gz RROOXSLHTPMSLZ-VGOFRKELSA-N 1 0 434.585 0.945 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001543204006 1072049762 /nfs/dbraw/zinc/04/97/62/1072049762.db2.gz RROOXSLHTPMSLZ-VGSWGCGISA-N 1 0 434.585 0.945 20 0 ICADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001543213520 1072049783 /nfs/dbraw/zinc/04/97/83/1072049783.db2.gz NRVSYBIJWOOOPU-LLVKDONJSA-N 1 0 436.314 0.919 20 0 ICADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001543213521 1072049715 /nfs/dbraw/zinc/04/97/15/1072049715.db2.gz NRVSYBIJWOOOPU-NSHDSACASA-N 1 0 436.314 0.919 20 0 ICADRO Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001543214803 1072049822 /nfs/dbraw/zinc/04/98/22/1072049822.db2.gz YQSAXULGLCRWFN-DYESRHJHSA-N 1 0 433.557 0.758 20 0 ICADRO Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001543214804 1072050272 /nfs/dbraw/zinc/05/02/72/1072050272.db2.gz YQSAXULGLCRWFN-LAUBAEHRSA-N 1 0 433.557 0.758 20 0 ICADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001543214805 1072050413 /nfs/dbraw/zinc/05/04/13/1072050413.db2.gz YQSAXULGLCRWFN-UTKZUKDTSA-N 1 0 433.557 0.758 20 0 ICADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001543214806 1072050332 /nfs/dbraw/zinc/05/03/32/1072050332.db2.gz YQSAXULGLCRWFN-UWJYYQICSA-N 1 0 433.557 0.758 20 0 ICADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)cc1 ZINC001543223242 1072050356 /nfs/dbraw/zinc/05/03/56/1072050356.db2.gz HXQLRPIVVARSOL-UHFFFAOYSA-N 1 0 430.509 0.841 20 0 ICADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001543223664 1072050220 /nfs/dbraw/zinc/05/02/20/1072050220.db2.gz WIRXHUACOJXMNU-UHFFFAOYSA-N 1 0 434.537 0.966 20 0 ICADRO Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCOCCS(C)(=O)=O ZINC001543224673 1072050295 /nfs/dbraw/zinc/05/02/95/1072050295.db2.gz IIJXYAWPGZOVPA-CALCHBBNSA-N 1 0 443.614 0.973 20 0 ICADRO Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001543226876 1072050871 /nfs/dbraw/zinc/05/08/71/1072050871.db2.gz JHFMYFJRPITIBL-GOSISDBHSA-N 1 0 428.603 0.709 20 0 ICADRO Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001543226877 1072051016 /nfs/dbraw/zinc/05/10/16/1072051016.db2.gz JHFMYFJRPITIBL-SFHVURJKSA-N 1 0 428.603 0.709 20 0 ICADRO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001543230423 1072051413 /nfs/dbraw/zinc/05/14/13/1072051413.db2.gz LKVWCHUQGDFCBT-GOSISDBHSA-N 1 0 428.603 0.684 20 0 ICADRO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001543230424 1072051255 /nfs/dbraw/zinc/05/12/55/1072051255.db2.gz LKVWCHUQGDFCBT-SFHVURJKSA-N 1 0 428.603 0.684 20 0 ICADRO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001543230723 1072051569 /nfs/dbraw/zinc/05/15/69/1072051569.db2.gz VLMCBGCRNAATLJ-INIZCTEOSA-N 1 0 428.603 0.948 20 0 ICADRO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001543230724 1072051451 /nfs/dbraw/zinc/05/14/51/1072051451.db2.gz VLMCBGCRNAATLJ-MRXNPFEDSA-N 1 0 428.603 0.948 20 0 ICADRO Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001543232120 1072051587 /nfs/dbraw/zinc/05/15/87/1072051587.db2.gz LWORWZZFQLFPNL-RBUKOAKNSA-N 1 0 439.630 0.615 20 0 ICADRO Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001543232121 1072051359 /nfs/dbraw/zinc/05/13/59/1072051359.db2.gz LWORWZZFQLFPNL-RTBURBONSA-N 1 0 439.630 0.615 20 0 ICADRO Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001543232581 1072051543 /nfs/dbraw/zinc/05/15/43/1072051543.db2.gz UUMDRNANIILFON-GOSISDBHSA-N 1 0 428.603 0.252 20 0 ICADRO Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001543232582 1072051382 /nfs/dbraw/zinc/05/13/82/1072051382.db2.gz UUMDRNANIILFON-SFHVURJKSA-N 1 0 428.603 0.252 20 0 ICADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCN1CCCS1(=O)=O ZINC001543233318 1072051661 /nfs/dbraw/zinc/05/16/61/1072051661.db2.gz ARKONGTWHKEHLE-UHFFFAOYSA-N 1 0 439.630 0.617 20 0 ICADRO Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543233851 1072051475 /nfs/dbraw/zinc/05/14/75/1072051475.db2.gz JOXRWMOTJSCRBB-GOSISDBHSA-N 1 0 432.573 0.523 20 0 ICADRO Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543233852 1072051289 /nfs/dbraw/zinc/05/12/89/1072051289.db2.gz JOXRWMOTJSCRBB-SFHVURJKSA-N 1 0 432.573 0.523 20 0 ICADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234682 1072052360 /nfs/dbraw/zinc/05/23/60/1072052360.db2.gz CRIADFTYXPLUOO-CRAIPNDOSA-N 1 0 444.985 0.264 20 0 ICADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234683 1072052001 /nfs/dbraw/zinc/05/20/01/1072052001.db2.gz CRIADFTYXPLUOO-MAUKXSAKSA-N 1 0 444.985 0.264 20 0 ICADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234684 1072052108 /nfs/dbraw/zinc/05/21/08/1072052108.db2.gz CRIADFTYXPLUOO-QAPCUYQASA-N 1 0 444.985 0.264 20 0 ICADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234685 1072052307 /nfs/dbraw/zinc/05/23/07/1072052307.db2.gz CRIADFTYXPLUOO-YJBOKZPZSA-N 1 0 444.985 0.264 20 0 ICADRO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)CC1 ZINC001543234713 1072052242 /nfs/dbraw/zinc/05/22/42/1072052242.db2.gz DMSCRYSWHOPSAE-RDJZCZTQSA-N 1 0 446.614 0.599 20 0 ICADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2)CC1 ZINC001543234714 1072052201 /nfs/dbraw/zinc/05/22/01/1072052201.db2.gz DMSCRYSWHOPSAE-WBVHZDCISA-N 1 0 446.614 0.599 20 0 ICADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C3(C(=O)OC(C)(C)C)CCS(=O)(=O)CC3)C2)CC1 ZINC001543235200 1072052411 /nfs/dbraw/zinc/05/24/11/1072052411.db2.gz WVNDJNIVEFPVDT-INIZCTEOSA-N 1 0 443.610 0.808 20 0 ICADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(C(=O)OC(C)(C)C)CCS(=O)(=O)CC3)C2)CC1 ZINC001543235201 1072052093 /nfs/dbraw/zinc/05/20/93/1072052093.db2.gz WVNDJNIVEFPVDT-MRXNPFEDSA-N 1 0 443.610 0.808 20 0 ICADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCN3C(=O)CCNC3=S)c2)C1 ZINC001543238031 1072052070 /nfs/dbraw/zinc/05/20/70/1072052070.db2.gz XQZNJXDAKMUBBV-KRWDZBQOSA-N 1 0 431.562 0.497 20 0 ICADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCN3C(=O)CCNC3=S)c2)C1 ZINC001543238033 1072052442 /nfs/dbraw/zinc/05/24/42/1072052442.db2.gz XQZNJXDAKMUBBV-QGZVFWFLSA-N 1 0 431.562 0.497 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001543259938 1072053908 /nfs/dbraw/zinc/05/39/08/1072053908.db2.gz BMRSUDIDDJZNDG-KBXCAEBGSA-N 1 0 438.575 0.952 20 0 ICADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001543259940 1072053969 /nfs/dbraw/zinc/05/39/69/1072053969.db2.gz BMRSUDIDDJZNDG-KDOFPFPSSA-N 1 0 438.575 0.952 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001543259942 1072053873 /nfs/dbraw/zinc/05/38/73/1072053873.db2.gz BMRSUDIDDJZNDG-KSSFIOAISA-N 1 0 438.575 0.952 20 0 ICADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001543259944 1072054024 /nfs/dbraw/zinc/05/40/24/1072054024.db2.gz BMRSUDIDDJZNDG-RDTXWAMCSA-N 1 0 438.575 0.952 20 0 ICADRO Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001543270926 1072055107 /nfs/dbraw/zinc/05/51/07/1072055107.db2.gz IUVUAXWTXLKQOY-INIZCTEOSA-N 1 0 431.545 0.354 20 0 ICADRO Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001543270927 1072054930 /nfs/dbraw/zinc/05/49/30/1072054930.db2.gz IUVUAXWTXLKQOY-MRXNPFEDSA-N 1 0 431.545 0.354 20 0 ICADRO Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543271502 1072055131 /nfs/dbraw/zinc/05/51/31/1072055131.db2.gz UQTDGDNIUDWILK-KRWDZBQOSA-N 1 0 427.619 0.378 20 0 ICADRO Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543271503 1072055041 /nfs/dbraw/zinc/05/50/41/1072055041.db2.gz UQTDGDNIUDWILK-QGZVFWFLSA-N 1 0 427.619 0.378 20 0 ICADRO Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001543273509 1072055641 /nfs/dbraw/zinc/05/56/41/1072055641.db2.gz CYNXNTXYSQDWBF-CRAIPNDOSA-N 1 0 426.587 0.700 20 0 ICADRO Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001543273510 1072055600 /nfs/dbraw/zinc/05/56/00/1072055600.db2.gz CYNXNTXYSQDWBF-MAUKXSAKSA-N 1 0 426.587 0.700 20 0 ICADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001543273511 1072055710 /nfs/dbraw/zinc/05/57/10/1072055710.db2.gz CYNXNTXYSQDWBF-QAPCUYQASA-N 1 0 426.587 0.700 20 0 ICADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001543273512 1072055770 /nfs/dbraw/zinc/05/57/70/1072055770.db2.gz CYNXNTXYSQDWBF-YJBOKZPZSA-N 1 0 426.587 0.700 20 0 ICADRO CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001543278425 1072056384 /nfs/dbraw/zinc/05/63/84/1072056384.db2.gz JONLNLANXCULGJ-FQEVSTJZSA-N 1 0 430.549 0.997 20 0 ICADRO CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001543278426 1072056487 /nfs/dbraw/zinc/05/64/87/1072056487.db2.gz JONLNLANXCULGJ-HXUWFJFHSA-N 1 0 430.549 0.997 20 0 ICADRO Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001543294427 1072057555 /nfs/dbraw/zinc/05/75/55/1072057555.db2.gz WQCMGLBYSSMGQI-FQEVSTJZSA-N 1 0 448.593 0.673 20 0 ICADRO Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001543294443 1072057586 /nfs/dbraw/zinc/05/75/86/1072057586.db2.gz WQCMGLBYSSMGQI-HXUWFJFHSA-N 1 0 448.593 0.673 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001543296325 1072057646 /nfs/dbraw/zinc/05/76/46/1072057646.db2.gz BXENICLAYMOIBN-GOSISDBHSA-N 1 0 435.573 0.070 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001543296326 1072057507 /nfs/dbraw/zinc/05/75/07/1072057507.db2.gz BXENICLAYMOIBN-SFHVURJKSA-N 1 0 435.573 0.070 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001543296362 1072057695 /nfs/dbraw/zinc/05/76/95/1072057695.db2.gz DCQFJZDLESFTQG-UHFFFAOYSA-N 1 0 439.564 0.990 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001543296829 1072058015 /nfs/dbraw/zinc/05/80/15/1072058015.db2.gz XEYWIQOZHZYCSI-GOSISDBHSA-N 1 0 431.585 0.978 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001543296830 1072058065 /nfs/dbraw/zinc/05/80/65/1072058065.db2.gz XEYWIQOZHZYCSI-SFHVURJKSA-N 1 0 431.585 0.978 20 0 ICADRO Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001543300970 1072058323 /nfs/dbraw/zinc/05/83/23/1072058323.db2.gz IEHQPBUPHDPMAC-UHFFFAOYSA-N 1 0 430.561 0.578 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001543301302 1072058874 /nfs/dbraw/zinc/05/88/74/1072058874.db2.gz SAVVAMQHGQUZSD-UHFFFAOYSA-N 1 0 446.577 0.783 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001543301654 1072058926 /nfs/dbraw/zinc/05/89/26/1072058926.db2.gz YQUPPLLGYAJCFQ-NRFANRHFSA-N 1 0 447.628 0.935 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001543301660 1072058781 /nfs/dbraw/zinc/05/87/81/1072058781.db2.gz YQUPPLLGYAJCFQ-OAQYLSRUSA-N 1 0 447.628 0.935 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001543301694 1072058853 /nfs/dbraw/zinc/05/88/53/1072058853.db2.gz ZCDJBUTWJZLALX-MOPGFXCFSA-N 1 0 433.601 0.688 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001543301696 1072058913 /nfs/dbraw/zinc/05/89/13/1072058913.db2.gz ZCDJBUTWJZLALX-OALUTQOASA-N 1 0 433.601 0.688 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001543301698 1072059692 /nfs/dbraw/zinc/05/96/92/1072059692.db2.gz ZCDJBUTWJZLALX-RBUKOAKNSA-N 1 0 433.601 0.688 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001543301699 1072059462 /nfs/dbraw/zinc/05/94/62/1072059462.db2.gz ZCDJBUTWJZLALX-RTBURBONSA-N 1 0 433.601 0.688 20 0 ICADRO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001543303828 1072059661 /nfs/dbraw/zinc/05/96/61/1072059661.db2.gz PHOIIXLMFOJNMR-IBGZPJMESA-N 1 0 435.573 0.518 20 0 ICADRO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001543303830 1072059554 /nfs/dbraw/zinc/05/95/54/1072059554.db2.gz PHOIIXLMFOJNMR-LJQANCHMSA-N 1 0 435.573 0.518 20 0 ICADRO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001543304243 1072059444 /nfs/dbraw/zinc/05/94/44/1072059444.db2.gz YALWECILKQHDIL-IBGZPJMESA-N 1 0 435.573 0.398 20 0 ICADRO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001543304244 1072059525 /nfs/dbraw/zinc/05/95/25/1072059525.db2.gz YALWECILKQHDIL-LJQANCHMSA-N 1 0 435.573 0.398 20 0 ICADRO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001543304265 1072059488 /nfs/dbraw/zinc/05/94/88/1072059488.db2.gz YORAWHFEYOXDQN-UHFFFAOYSA-N 1 0 448.616 0.434 20 0 ICADRO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001543305724 1072060007 /nfs/dbraw/zinc/06/00/07/1072060007.db2.gz GZABYXMILPUWMU-KRWDZBQOSA-N 1 0 433.601 0.611 20 0 ICADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001543305731 1072060186 /nfs/dbraw/zinc/06/01/86/1072060186.db2.gz GZABYXMILPUWMU-QGZVFWFLSA-N 1 0 433.601 0.611 20 0 ICADRO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543306632 1072060251 /nfs/dbraw/zinc/06/02/51/1072060251.db2.gz PSEQKUDCLOCTJE-IBGZPJMESA-N 1 0 440.548 0.596 20 0 ICADRO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543306633 1072060065 /nfs/dbraw/zinc/06/00/65/1072060065.db2.gz PSEQKUDCLOCTJE-LJQANCHMSA-N 1 0 440.548 0.596 20 0 ICADRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1OCC(=O)OC ZINC001543306941 1072060632 /nfs/dbraw/zinc/06/06/32/1072060632.db2.gz TUTOCJPCZFYKHW-GOSISDBHSA-N 1 0 435.521 0.773 20 0 ICADRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1OCC(=O)OC ZINC001543306942 1072060537 /nfs/dbraw/zinc/06/05/37/1072060537.db2.gz TUTOCJPCZFYKHW-SFHVURJKSA-N 1 0 435.521 0.773 20 0 ICADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC001543307989 1072060690 /nfs/dbraw/zinc/06/06/90/1072060690.db2.gz GEKQQXWHADLZPL-UHFFFAOYSA-N 1 0 444.532 0.379 20 0 ICADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC001543308134 1072060749 /nfs/dbraw/zinc/06/07/49/1072060749.db2.gz KORBHARRGOLMQK-VMPITWQZSA-N 1 0 442.516 0.460 20 0 ICADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC001543308135 1072060854 /nfs/dbraw/zinc/06/08/54/1072060854.db2.gz KORBHARRGOLMQK-YVMONPNESA-N 1 0 442.516 0.460 20 0 ICADRO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543309275 1072061330 /nfs/dbraw/zinc/06/13/30/1072061330.db2.gz BWSHDJOZZCOBCE-MSOLQXFVSA-N 1 0 428.574 0.827 20 0 ICADRO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543309278 1072061194 /nfs/dbraw/zinc/06/11/94/1072061194.db2.gz BWSHDJOZZCOBCE-ROUUACIJSA-N 1 0 428.574 0.827 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310173 1072061065 /nfs/dbraw/zinc/06/10/65/1072061065.db2.gz QTCQCOTUNPLQQH-AVRDEDQJSA-N 1 0 440.585 0.831 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310174 1072061107 /nfs/dbraw/zinc/06/11/07/1072061107.db2.gz QTCQCOTUNPLQQH-GCJKJVERSA-N 1 0 440.585 0.831 20 0 ICADRO CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310175 1072061440 /nfs/dbraw/zinc/06/14/40/1072061440.db2.gz QTCQCOTUNPLQQH-PGRDOPGGSA-N 1 0 440.585 0.831 20 0 ICADRO CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310176 1072061497 /nfs/dbraw/zinc/06/14/97/1072061497.db2.gz QTCQCOTUNPLQQH-XMSQKQJNSA-N 1 0 440.585 0.831 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543310351 1072061152 /nfs/dbraw/zinc/06/11/52/1072061152.db2.gz VAYWBINWEPIHDA-BZSNNMDCSA-N 1 0 426.558 0.439 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543310352 1072061379 /nfs/dbraw/zinc/06/13/79/1072061379.db2.gz VAYWBINWEPIHDA-KSZLIROESA-N 1 0 426.558 0.439 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543310353 1072061470 /nfs/dbraw/zinc/06/14/70/1072061470.db2.gz VAYWBINWEPIHDA-KURKYZTESA-N 1 0 426.558 0.439 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001543310354 1072061532 /nfs/dbraw/zinc/06/15/32/1072061532.db2.gz VAYWBINWEPIHDA-SQNIBIBYSA-N 1 0 426.558 0.439 20 0 ICADRO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001543310422 1072061552 /nfs/dbraw/zinc/06/15/52/1072061552.db2.gz WQESNBRFRTVEOE-DYESRHJHSA-N 1 0 426.558 0.271 20 0 ICADRO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001543310423 1072061256 /nfs/dbraw/zinc/06/12/56/1072061256.db2.gz WQESNBRFRTVEOE-LAUBAEHRSA-N 1 0 426.558 0.271 20 0 ICADRO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001543310424 1072061955 /nfs/dbraw/zinc/06/19/55/1072061955.db2.gz WQESNBRFRTVEOE-UTKZUKDTSA-N 1 0 426.558 0.271 20 0 ICADRO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001543310425 1072062084 /nfs/dbraw/zinc/06/20/84/1072062084.db2.gz WQESNBRFRTVEOE-UWJYYQICSA-N 1 0 426.558 0.271 20 0 ICADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310518 1072061850 /nfs/dbraw/zinc/06/18/50/1072061850.db2.gz ZASSRALTZYJYHM-LEWJYISDSA-N 1 0 446.548 0.547 20 0 ICADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310519 1072062055 /nfs/dbraw/zinc/06/20/55/1072062055.db2.gz ZASSRALTZYJYHM-NHCUHLMSSA-N 1 0 446.548 0.547 20 0 ICADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310520 1072061760 /nfs/dbraw/zinc/06/17/60/1072061760.db2.gz ZASSRALTZYJYHM-RTWAWAEBSA-N 1 0 446.548 0.547 20 0 ICADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310521 1072062028 /nfs/dbraw/zinc/06/20/28/1072062028.db2.gz ZASSRALTZYJYHM-SFTDATJTSA-N 1 0 446.548 0.547 20 0 ICADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543315636 1072062406 /nfs/dbraw/zinc/06/24/06/1072062406.db2.gz FNKOXIUKGHISMA-UHFFFAOYSA-N 1 0 441.584 0.433 20 0 ICADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001543315699 1072062490 /nfs/dbraw/zinc/06/24/90/1072062490.db2.gz HIYXCNSXQQSLCU-GOSISDBHSA-N 1 0 442.568 0.644 20 0 ICADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001543315700 1072062563 /nfs/dbraw/zinc/06/25/63/1072062563.db2.gz HIYXCNSXQQSLCU-SFHVURJKSA-N 1 0 442.568 0.644 20 0 ICADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001543315950 1072062337 /nfs/dbraw/zinc/06/23/37/1072062337.db2.gz RKAGWKRGGHOYGY-IBGZPJMESA-N 1 0 442.568 0.764 20 0 ICADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001543315951 1072062593 /nfs/dbraw/zinc/06/25/93/1072062593.db2.gz RKAGWKRGGHOYGY-LJQANCHMSA-N 1 0 442.568 0.764 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001543319148 1072063156 /nfs/dbraw/zinc/06/31/56/1072063156.db2.gz DVPXNRZGYJGFMO-UHFFFAOYSA-N 1 0 433.601 0.566 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001543319701 1072063136 /nfs/dbraw/zinc/06/31/36/1072063136.db2.gz KVUUGECKFHWZAE-UHFFFAOYSA-N 1 0 433.601 0.568 20 0 ICADRO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCn1cc(CO)nn1 ZINC001543320404 1072063687 /nfs/dbraw/zinc/06/36/87/1072063687.db2.gz UTNNOJLGRDWRPK-UHFFFAOYSA-N 1 0 431.589 0.755 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001543320722 1072063615 /nfs/dbraw/zinc/06/36/15/1072063615.db2.gz YLHWGIJAJARDMA-UHFFFAOYSA-N 1 0 429.569 0.785 20 0 ICADRO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001543320777 1072063704 /nfs/dbraw/zinc/06/37/04/1072063704.db2.gz ZLEKLYPMGZOTLQ-SFHVURJKSA-N 1 0 432.573 0.570 20 0 ICADRO Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCOCCS(C)(=O)=O ZINC001543324814 1072064037 /nfs/dbraw/zinc/06/40/37/1072064037.db2.gz CYKROVNZWGZPKO-IBGZPJMESA-N 1 0 437.566 0.503 20 0 ICADRO Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCOCCS(C)(=O)=O ZINC001543324815 1072064314 /nfs/dbraw/zinc/06/43/14/1072064314.db2.gz CYKROVNZWGZPKO-LJQANCHMSA-N 1 0 437.566 0.503 20 0 ICADRO Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001543325556 1072064246 /nfs/dbraw/zinc/06/42/46/1072064246.db2.gz SXRHAMNTRCTORJ-IBGZPJMESA-N 1 0 428.537 0.724 20 0 ICADRO Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001543325557 1072064148 /nfs/dbraw/zinc/06/41/48/1072064148.db2.gz SXRHAMNTRCTORJ-LJQANCHMSA-N 1 0 428.537 0.724 20 0 ICADRO Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001543330449 1072064742 /nfs/dbraw/zinc/06/47/42/1072064742.db2.gz FWYXCMYRXMNIRX-GOSISDBHSA-N 1 0 426.587 0.417 20 0 ICADRO Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001543330457 1072064561 /nfs/dbraw/zinc/06/45/61/1072064561.db2.gz FWYXCMYRXMNIRX-SFHVURJKSA-N 1 0 426.587 0.417 20 0 ICADRO Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001543330703 1072064911 /nfs/dbraw/zinc/06/49/11/1072064911.db2.gz JHMYSJAOCOTLDO-UHFFFAOYSA-N 1 0 444.462 0.831 20 0 ICADRO Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001543330883 1072064828 /nfs/dbraw/zinc/06/48/28/1072064828.db2.gz LWTXFRTYLUZOFW-UHFFFAOYSA-N 1 0 427.571 0.075 20 0 ICADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC(=O)NC1CC1 ZINC001543331017 1072064594 /nfs/dbraw/zinc/06/45/94/1072064594.db2.gz MOOKYFMTCFJRFZ-FQEVSTJZSA-N 1 0 433.601 0.877 20 0 ICADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC(=O)NC1CC1 ZINC001543331018 1072065099 /nfs/dbraw/zinc/06/50/99/1072065099.db2.gz MOOKYFMTCFJRFZ-HXUWFJFHSA-N 1 0 433.601 0.877 20 0 ICADRO Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CCNS(C)(=O)=O ZINC001543331719 1072065016 /nfs/dbraw/zinc/06/50/16/1072065016.db2.gz WGGDDDYDOLLSDM-UHFFFAOYSA-N 1 0 435.598 0.390 20 0 ICADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001543331923 1072065165 /nfs/dbraw/zinc/06/51/65/1072065165.db2.gz YVFQDRVEBNBQQI-IBGZPJMESA-N 1 0 433.601 0.863 20 0 ICADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001543331924 1072064923 /nfs/dbraw/zinc/06/49/23/1072064923.db2.gz YVFQDRVEBNBQQI-LJQANCHMSA-N 1 0 433.601 0.863 20 0 ICADRO Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCOCCS(C)(=O)=O ZINC001543331969 1072064775 /nfs/dbraw/zinc/06/47/75/1072064775.db2.gz ZTUNOVPRIFEIQU-HDICACEKSA-N 1 0 442.630 0.643 20 0 ICADRO Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCOCCS(C)(=O)=O ZINC001543331970 1072064727 /nfs/dbraw/zinc/06/47/27/1072064727.db2.gz ZTUNOVPRIFEIQU-QZTJIDSGSA-N 1 0 442.630 0.643 20 0 ICADRO Cc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCOCCS(C)(=O)=O ZINC001543331971 1072064879 /nfs/dbraw/zinc/06/48/79/1072064879.db2.gz ZTUNOVPRIFEIQU-ROUUACIJSA-N 1 0 442.630 0.643 20 0 ICADRO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001543333203 1072065681 /nfs/dbraw/zinc/06/56/81/1072065681.db2.gz GXDMHXRRTLKDRK-KRWDZBQOSA-N 1 0 445.572 0.174 20 0 ICADRO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001543333204 1072065696 /nfs/dbraw/zinc/06/56/96/1072065696.db2.gz GXDMHXRRTLKDRK-QGZVFWFLSA-N 1 0 445.572 0.174 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001543333682 1072066186 /nfs/dbraw/zinc/06/61/86/1072066186.db2.gz OWCMKNAQAJTKEP-FQEVSTJZSA-N 1 0 448.593 0.959 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001543333685 1072066275 /nfs/dbraw/zinc/06/62/75/1072066275.db2.gz OWCMKNAQAJTKEP-HXUWFJFHSA-N 1 0 448.593 0.959 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001543333929 1072065984 /nfs/dbraw/zinc/06/59/84/1072065984.db2.gz SMHGVZHSVIZDKI-UHFFFAOYSA-N 1 0 447.609 0.880 20 0 ICADRO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001543334199 1072066721 /nfs/dbraw/zinc/06/67/21/1072066721.db2.gz XIDHDUCDSLQUCF-UHFFFAOYSA-N 1 0 445.572 0.318 20 0 ICADRO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001543334256 1072066679 /nfs/dbraw/zinc/06/66/79/1072066679.db2.gz ZBBAYRONAYHRJL-UHFFFAOYSA-N 1 0 428.603 0.949 20 0 ICADRO CC(C)[NH+]1CCN(CCCC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001543387813 1072068778 /nfs/dbraw/zinc/06/87/78/1072068778.db2.gz DEPUPYFLIWOTRO-UHFFFAOYSA-N 1 0 439.601 0.988 20 0 ICADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001543390123 1072069451 /nfs/dbraw/zinc/06/94/51/1072069451.db2.gz IVTRGHWNRWVMHN-ACJLOTCBSA-N 1 0 441.558 0.196 20 0 ICADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001543390124 1072069384 /nfs/dbraw/zinc/06/93/84/1072069384.db2.gz IVTRGHWNRWVMHN-FZKQIMNGSA-N 1 0 441.558 0.196 20 0 ICADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001543390125 1072069329 /nfs/dbraw/zinc/06/93/29/1072069329.db2.gz IVTRGHWNRWVMHN-SCLBCKFNSA-N 1 0 441.558 0.196 20 0 ICADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001543390126 1072069374 /nfs/dbraw/zinc/06/93/74/1072069374.db2.gz IVTRGHWNRWVMHN-UGSOOPFHSA-N 1 0 441.558 0.196 20 0 ICADRO C[C@H]([NH2+]C1(CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCOCC1)c1ccccc1 ZINC001543407230 1072070517 /nfs/dbraw/zinc/07/05/17/1072070517.db2.gz XJCDXKAVSWMDDZ-HNNXBMFYSA-N 1 0 448.545 0.871 20 0 ICADRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCOCC1)c1ccccc1 ZINC001543407234 1072070386 /nfs/dbraw/zinc/07/03/86/1072070386.db2.gz XJCDXKAVSWMDDZ-OAHLLOKOSA-N 1 0 448.545 0.871 20 0 ICADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc1 ZINC001543416742 1072071530 /nfs/dbraw/zinc/07/15/30/1072071530.db2.gz QEXKNOFDRNRWGL-SFHVURJKSA-N 1 0 443.479 0.776 20 0 ICADRO Cc1noc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001543423366 1072072774 /nfs/dbraw/zinc/07/27/74/1072072774.db2.gz LCLUTGNBXTZBMZ-AWEZNQCLSA-N 1 0 440.574 0.743 20 0 ICADRO Cc1noc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001543423367 1072072931 /nfs/dbraw/zinc/07/29/31/1072072931.db2.gz LCLUTGNBXTZBMZ-CQSZACIVSA-N 1 0 440.574 0.743 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1 ZINC001543445249 1072073984 /nfs/dbraw/zinc/07/39/84/1072073984.db2.gz UVCIXYKYAMSZTM-HNNXBMFYSA-N 1 0 433.534 0.745 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1 ZINC001543445250 1072073899 /nfs/dbraw/zinc/07/38/99/1072073899.db2.gz UVCIXYKYAMSZTM-OAHLLOKOSA-N 1 0 433.534 0.745 20 0 ICADRO Cn1c(=O)ccn(CC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)c1=O ZINC001543460021 1072073876 /nfs/dbraw/zinc/07/38/76/1072073876.db2.gz LBKNCKDXXPKZFW-UHFFFAOYSA-N 1 0 441.532 0.035 20 0 ICADRO Cc1nn(CC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)c(=O)n1C ZINC001543460083 1072074028 /nfs/dbraw/zinc/07/40/28/1072074028.db2.gz PELJEJLSEZZLMK-UHFFFAOYSA-N 1 0 428.537 0.378 20 0 ICADRO Cc1cc(CN2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001543463485 1072074546 /nfs/dbraw/zinc/07/45/46/1072074546.db2.gz QDSFHNIBSAPFIJ-GOSISDBHSA-N 1 0 446.556 0.426 20 0 ICADRO Cc1cc(CN2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001543463494 1072074410 /nfs/dbraw/zinc/07/44/10/1072074410.db2.gz QDSFHNIBSAPFIJ-SFHVURJKSA-N 1 0 446.556 0.426 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001543476286 1072074978 /nfs/dbraw/zinc/07/49/78/1072074978.db2.gz RMSGXUVFOKJPPZ-GDBMZVCRSA-N 1 0 426.525 0.933 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)[NH+](C)C ZINC001543476297 1072075038 /nfs/dbraw/zinc/07/50/38/1072075038.db2.gz RMSGXUVFOKJPPZ-GOEBONIOSA-N 1 0 426.525 0.933 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001543476304 1072075023 /nfs/dbraw/zinc/07/50/23/1072075023.db2.gz RMSGXUVFOKJPPZ-HOCLYGCPSA-N 1 0 426.525 0.933 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001543476305 1072074903 /nfs/dbraw/zinc/07/49/03/1072074903.db2.gz RMSGXUVFOKJPPZ-ZBFHGGJFSA-N 1 0 426.525 0.933 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543488678 1072075469 /nfs/dbraw/zinc/07/54/69/1072075469.db2.gz DDUBLCGOEXKEJM-INIZCTEOSA-N 1 0 427.557 0.428 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543488682 1072075550 /nfs/dbraw/zinc/07/55/50/1072075550.db2.gz DDUBLCGOEXKEJM-MRXNPFEDSA-N 1 0 427.557 0.428 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001543493439 1072076282 /nfs/dbraw/zinc/07/62/82/1072076282.db2.gz ZOEADNNILFROPM-CABCVRRESA-N 1 0 426.587 0.435 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001543493440 1072076351 /nfs/dbraw/zinc/07/63/51/1072076351.db2.gz ZOEADNNILFROPM-GJZGRUSLSA-N 1 0 426.587 0.435 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001543493441 1072076461 /nfs/dbraw/zinc/07/64/61/1072076461.db2.gz ZOEADNNILFROPM-HUUCEWRRSA-N 1 0 426.587 0.435 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001543493442 1072076421 /nfs/dbraw/zinc/07/64/21/1072076421.db2.gz ZOEADNNILFROPM-LSDHHAIUSA-N 1 0 426.587 0.435 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543498111 1072076915 /nfs/dbraw/zinc/07/69/15/1072076915.db2.gz ASMMTUCLLQZKLA-GOSISDBHSA-N 1 0 440.596 0.957 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543498112 1072076814 /nfs/dbraw/zinc/07/68/14/1072076814.db2.gz ASMMTUCLLQZKLA-SFHVURJKSA-N 1 0 440.596 0.957 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001543499214 1072077002 /nfs/dbraw/zinc/07/70/02/1072077002.db2.gz PFVSBFFHLWRDOD-HKUYNNGSSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001543499216 1072076764 /nfs/dbraw/zinc/07/67/64/1072076764.db2.gz PFVSBFFHLWRDOD-IEBWSBKVSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001543499218 1072076895 /nfs/dbraw/zinc/07/68/95/1072076895.db2.gz PFVSBFFHLWRDOD-MJGOQNOKSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001543499219 1072076978 /nfs/dbraw/zinc/07/69/78/1072076978.db2.gz PFVSBFFHLWRDOD-PKOBYXMFSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543499862 1072077531 /nfs/dbraw/zinc/07/75/31/1072077531.db2.gz YJTYAXMELOXIAA-AEFFLSMTSA-N 1 0 431.585 0.840 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543499864 1072077410 /nfs/dbraw/zinc/07/74/10/1072077410.db2.gz YJTYAXMELOXIAA-FUHWJXTLSA-N 1 0 431.585 0.840 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543499865 1072077488 /nfs/dbraw/zinc/07/74/88/1072077488.db2.gz YJTYAXMELOXIAA-SJLPKXTDSA-N 1 0 431.585 0.840 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543499866 1072077453 /nfs/dbraw/zinc/07/74/53/1072077453.db2.gz YJTYAXMELOXIAA-WMZOPIPTSA-N 1 0 431.585 0.840 20 0 ICADRO COc1cc2nc(C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c(=O)n(C)c2cc1OC ZINC001543505955 1072077807 /nfs/dbraw/zinc/07/78/07/1072077807.db2.gz BQHSNRXHQHBZNV-HNNXBMFYSA-N 1 0 429.521 0.803 20 0 ICADRO COc1cc2nc(C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c(=O)n(C)c2cc1OC ZINC001543505961 1072077948 /nfs/dbraw/zinc/07/79/48/1072077948.db2.gz BQHSNRXHQHBZNV-OAHLLOKOSA-N 1 0 429.521 0.803 20 0 ICADRO COC[C@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507401 1072078352 /nfs/dbraw/zinc/07/83/52/1072078352.db2.gz MAQNPAJNFKVVGM-AVRDEDQJSA-N 1 0 440.585 0.877 20 0 ICADRO COC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507406 1072078308 /nfs/dbraw/zinc/07/83/08/1072078308.db2.gz MAQNPAJNFKVVGM-GCJKJVERSA-N 1 0 440.585 0.877 20 0 ICADRO COC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507411 1072078402 /nfs/dbraw/zinc/07/84/02/1072078402.db2.gz MAQNPAJNFKVVGM-PGRDOPGGSA-N 1 0 440.585 0.877 20 0 ICADRO COC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507413 1072078412 /nfs/dbraw/zinc/07/84/12/1072078412.db2.gz MAQNPAJNFKVVGM-XMSQKQJNSA-N 1 0 440.585 0.877 20 0 ICADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)C1 ZINC001543508861 1072078881 /nfs/dbraw/zinc/07/88/81/1072078881.db2.gz UOGHOUIIERPLPF-INIZCTEOSA-N 1 0 433.557 0.922 20 0 ICADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)C1 ZINC001543508864 1072078812 /nfs/dbraw/zinc/07/88/12/1072078812.db2.gz UOGHOUIIERPLPF-MRXNPFEDSA-N 1 0 433.557 0.922 20 0 ICADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(S(=O)(=O)N=S(C)(C)=O)c3)CC2)C1 ZINC001543508955 1072078795 /nfs/dbraw/zinc/07/87/95/1072078795.db2.gz VNBANNXOLWBIPX-KRWDZBQOSA-N 1 0 442.607 0.955 20 0 ICADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(S(=O)(=O)N=S(C)(C)=O)c3)CC2)C1 ZINC001543508965 1072078954 /nfs/dbraw/zinc/07/89/54/1072078954.db2.gz VNBANNXOLWBIPX-QGZVFWFLSA-N 1 0 442.607 0.955 20 0 ICADRO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC001543558962 1072080253 /nfs/dbraw/zinc/08/02/53/1072080253.db2.gz YAYUGQBQTWRNEZ-QZTJIDSGSA-N 1 0 449.602 0.966 20 0 ICADRO Cn1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001543569869 1072080747 /nfs/dbraw/zinc/08/07/47/1072080747.db2.gz FZUXZEOYUZKGRZ-UHFFFAOYSA-N 1 0 438.532 0.974 20 0 ICADRO CN1CC[NH+](CCCCNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 ZINC001543569919 1072080711 /nfs/dbraw/zinc/08/07/11/1072080711.db2.gz GPBPSLVQDBLTHW-UHFFFAOYSA-N 1 0 430.596 0.860 20 0 ICADRO C[NH+]1CCN(CCCCNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001543570712 1072080624 /nfs/dbraw/zinc/08/06/24/1072080624.db2.gz UAEVAXFNZNAKHT-UHFFFAOYSA-N 1 0 445.607 0.262 20 0 ICADRO CCN1CCC([NH+]2CCC(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2)CC1 ZINC001543641616 1072082850 /nfs/dbraw/zinc/08/28/50/1072082850.db2.gz SARDFCIMJFEBAR-UHFFFAOYSA-N 1 0 449.625 0.817 20 0 ICADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001543664154 1072083796 /nfs/dbraw/zinc/08/37/96/1072083796.db2.gz LLNGDHAPLMJVJI-BZUAXINKSA-N 1 0 445.607 0.851 20 0 ICADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001543664158 1072083682 /nfs/dbraw/zinc/08/36/82/1072083682.db2.gz LLNGDHAPLMJVJI-OAGGEKHMSA-N 1 0 445.607 0.851 20 0 ICADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001543664162 1072083869 /nfs/dbraw/zinc/08/38/69/1072083869.db2.gz LLNGDHAPLMJVJI-OWCLPIDISA-N 1 0 445.607 0.851 20 0 ICADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001543664166 1072083781 /nfs/dbraw/zinc/08/37/81/1072083781.db2.gz LLNGDHAPLMJVJI-XHSDSOJGSA-N 1 0 445.607 0.851 20 0 ICADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001543672241 1072083718 /nfs/dbraw/zinc/08/37/18/1072083718.db2.gz VDBXSVWYAOVXJE-SWLSCSKDSA-N 1 0 425.415 0.587 20 0 ICADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001543672250 1072083819 /nfs/dbraw/zinc/08/38/19/1072083819.db2.gz VDBXSVWYAOVXJE-WFASDCNBSA-N 1 0 425.415 0.587 20 0 ICADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)CC2)CC1 ZINC001543694218 1072085327 /nfs/dbraw/zinc/08/53/27/1072085327.db2.gz SXGHYIPCUODMGH-UHFFFAOYSA-N 1 0 434.566 0.541 20 0 ICADRO CN1CCn2ncc(C(=O)NCCCN3CC[N@H+](C)C[C@H]3c3ccccc3)c2S1(=O)=O ZINC001543699898 1072085564 /nfs/dbraw/zinc/08/55/64/1072085564.db2.gz UQKHISWQHFBCPU-IBGZPJMESA-N 1 0 446.577 0.626 20 0 ICADRO CN1CCn2ncc(C(=O)NCCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)c2S1(=O)=O ZINC001543699900 1072085719 /nfs/dbraw/zinc/08/57/19/1072085719.db2.gz UQKHISWQHFBCPU-LJQANCHMSA-N 1 0 446.577 0.626 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H]2C)CC1 ZINC001543708050 1072085525 /nfs/dbraw/zinc/08/55/25/1072085525.db2.gz AAMGACYMXBDZJX-BRWVUGGUSA-N 1 0 426.587 0.797 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001543708055 1072085820 /nfs/dbraw/zinc/08/58/20/1072085820.db2.gz AAMGACYMXBDZJX-IKGGRYGDSA-N 1 0 426.587 0.797 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001543708056 1072085655 /nfs/dbraw/zinc/08/56/55/1072085655.db2.gz AAMGACYMXBDZJX-IXDOHACOSA-N 1 0 426.587 0.797 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H]2C)CC1 ZINC001543708058 1072085871 /nfs/dbraw/zinc/08/58/71/1072085871.db2.gz AAMGACYMXBDZJX-ZACQAIPSSA-N 1 0 426.587 0.797 20 0 ICADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)C[C@H](C)O1 ZINC001543740064 1072087577 /nfs/dbraw/zinc/08/75/77/1072087577.db2.gz KPCPPYPYJUOYPU-HOTGVXAUSA-N 1 0 425.555 0.255 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)C[C@@H](C)O1 ZINC001543740072 1072087375 /nfs/dbraw/zinc/08/73/75/1072087375.db2.gz KPCPPYPYJUOYPU-HZPDHXFCSA-N 1 0 425.555 0.255 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)C[C@H](C)O1 ZINC001543740074 1072087500 /nfs/dbraw/zinc/08/75/00/1072087500.db2.gz KPCPPYPYJUOYPU-IYBDPMFKSA-N 1 0 425.555 0.255 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)C[C@H](C)O1 ZINC001543741294 1072088561 /nfs/dbraw/zinc/08/85/61/1072088561.db2.gz WBMYOOFMQSHZLV-CALCHBBNSA-N 1 0 428.599 0.749 20 0 ICADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)C[C@@H](C)O1 ZINC001543741295 1072088456 /nfs/dbraw/zinc/08/84/56/1072088456.db2.gz WBMYOOFMQSHZLV-IAGOWNOFSA-N 1 0 428.599 0.749 20 0 ICADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)C[C@H](C)O1 ZINC001543741296 1072088362 /nfs/dbraw/zinc/08/83/62/1072088362.db2.gz WBMYOOFMQSHZLV-IRXDYDNUSA-N 1 0 428.599 0.749 20 0 ICADRO Nc1nnnn1-c1cccc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC001543783038 1072090133 /nfs/dbraw/zinc/09/01/33/1072090133.db2.gz XYMAXAYBVDSDOA-UHFFFAOYSA-N 1 0 434.504 0.830 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)cc2)CC1 ZINC001543808736 1072090848 /nfs/dbraw/zinc/09/08/48/1072090848.db2.gz GVTXNVYHKXNGLS-UHFFFAOYSA-N 1 0 432.550 0.907 20 0 ICADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001543808820 1072090934 /nfs/dbraw/zinc/09/09/34/1072090934.db2.gz IYEDXTLZXMCSRF-UHFFFAOYSA-N 1 0 446.577 0.585 20 0 ICADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(n4cnnn4)CCOCC3)CC2)cc1 ZINC001543812593 1072091064 /nfs/dbraw/zinc/09/10/64/1072091064.db2.gz FXMXYSZWRLNQHP-UHFFFAOYSA-N 1 0 427.509 0.918 20 0 ICADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001543822905 1072091453 /nfs/dbraw/zinc/09/14/53/1072091453.db2.gz BYLQDYPFJNQDCY-HNNXBMFYSA-N 1 0 429.564 0.455 20 0 ICADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001543822917 1072091291 /nfs/dbraw/zinc/09/12/91/1072091291.db2.gz BYLQDYPFJNQDCY-OAHLLOKOSA-N 1 0 429.564 0.455 20 0 ICADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001543828577 1072091785 /nfs/dbraw/zinc/09/17/85/1072091785.db2.gz FOOZJSYFOGDREU-UHFFFAOYSA-N 1 0 438.594 0.589 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001543875641 1072092344 /nfs/dbraw/zinc/09/23/44/1072092344.db2.gz LYUUKCGTNBZCAR-CLCXKQKWSA-N 1 0 441.602 0.335 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001543875642 1072092419 /nfs/dbraw/zinc/09/24/19/1072092419.db2.gz LYUUKCGTNBZCAR-SPYBWZPUSA-N 1 0 441.602 0.335 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001543875643 1072092204 /nfs/dbraw/zinc/09/22/04/1072092204.db2.gz LYUUKCGTNBZCAR-VCBZYWHSSA-N 1 0 441.602 0.335 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001543875644 1072092282 /nfs/dbraw/zinc/09/22/82/1072092282.db2.gz LYUUKCGTNBZCAR-ZRGWGRIASA-N 1 0 441.602 0.335 20 0 ICADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001543887856 1072092678 /nfs/dbraw/zinc/09/26/78/1072092678.db2.gz MCGQMIWBJPKIBL-HNNXBMFYSA-N 1 0 427.505 0.986 20 0 ICADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001543887857 1072092791 /nfs/dbraw/zinc/09/27/91/1072092791.db2.gz MCGQMIWBJPKIBL-OAHLLOKOSA-N 1 0 427.505 0.986 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)cn1 ZINC001543915902 1072093581 /nfs/dbraw/zinc/09/35/81/1072093581.db2.gz CTGAYRPCNCOHCO-UHFFFAOYSA-N 1 0 434.931 0.176 20 0 ICADRO CN1CCN(Cc2ccc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)s2)CC1 ZINC001543916612 1072093369 /nfs/dbraw/zinc/09/33/69/1072093369.db2.gz HEUCRSAWEIHEPK-UHFFFAOYSA-N 1 0 433.582 0.622 20 0 ICADRO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001543917969 1072093420 /nfs/dbraw/zinc/09/34/20/1072093420.db2.gz PSLGKVMDSUNEHN-UHFFFAOYSA-N 1 0 432.481 0.368 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)cn1 ZINC001543918005 1072093439 /nfs/dbraw/zinc/09/34/39/1072093439.db2.gz PYPNWHWXIUCFKD-OAHLLOKOSA-N 1 0 426.518 0.164 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001543918068 1072093361 /nfs/dbraw/zinc/09/33/61/1072093361.db2.gz QHYOOBXWAGZWDD-CVEARBPZSA-N 1 0 438.529 0.429 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001543918106 1072093397 /nfs/dbraw/zinc/09/33/97/1072093397.db2.gz QHYOOBXWAGZWDD-HOTGVXAUSA-N 1 0 438.529 0.429 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001543918107 1072093537 /nfs/dbraw/zinc/09/35/37/1072093537.db2.gz QHYOOBXWAGZWDD-HZPDHXFCSA-N 1 0 438.529 0.429 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC001543918108 1072093891 /nfs/dbraw/zinc/09/38/91/1072093891.db2.gz QHYOOBXWAGZWDD-JKSUJKDBSA-N 1 0 438.529 0.429 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(I)cn2)cn1 ZINC001543918528 1072094034 /nfs/dbraw/zinc/09/40/34/1072094034.db2.gz SYNURJWXKICPBX-UHFFFAOYSA-N 1 0 442.261 0.813 20 0 ICADRO CN(C)c1ncc(Br)c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)n1 ZINC001543918823 1072094021 /nfs/dbraw/zinc/09/40/21/1072094021.db2.gz WGJUSDOOZOOPPR-UHFFFAOYSA-N 1 0 439.318 0.432 20 0 ICADRO Cn1c2sc(C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)cc2c(=O)n(C)c1=O ZINC001543968175 1072095190 /nfs/dbraw/zinc/09/51/90/1072095190.db2.gz ILRZNXLUHXDQRJ-UHFFFAOYSA-N 1 0 441.557 0.976 20 0 ICADRO C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC001544014778 1072097853 /nfs/dbraw/zinc/09/78/53/1072097853.db2.gz ZUTQKCLEFNHDLA-UHFFFAOYSA-N 1 0 435.550 0.537 20 0 ICADRO C[C@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 ZINC001544016178 1072098201 /nfs/dbraw/zinc/09/82/01/1072098201.db2.gz COGYHENHIVMKDA-DLBZAZTESA-N 1 0 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CC(C)[NH+]1CCN(CCC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC001544409676 1072116406 /nfs/dbraw/zinc/11/64/06/1072116406.db2.gz RSRMWUKUILRUGO-UHFFFAOYSA-N 1 0 433.578 0.696 20 0 ICADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)CC1 ZINC001544440758 1072117551 /nfs/dbraw/zinc/11/75/51/1072117551.db2.gz AOGFGVIDTGHRFR-SFHVURJKSA-N 1 0 443.479 0.647 20 0 ICADRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001544454216 1072117469 /nfs/dbraw/zinc/11/74/69/1072117469.db2.gz HEMWRRLBCXZEGP-INIZCTEOSA-N 1 0 435.525 0.906 20 0 ICADRO C[NH+]1CCN(c2ncccc2CNC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001544454722 1072117565 /nfs/dbraw/zinc/11/75/65/1072117565.db2.gz MTHIZVPRWZIAAX-UHFFFAOYSA-N 1 0 432.546 0.458 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H]1c1nccn1C ZINC001544455818 1072117489 /nfs/dbraw/zinc/11/74/89/1072117489.db2.gz YYDOYSTVJGGFGT-OALUTQOASA-N 1 0 441.536 0.172 20 0 ICADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001544469371 1072117929 /nfs/dbraw/zinc/11/79/29/1072117929.db2.gz DGDPCTNDFVMHND-UHFFFAOYSA-N 1 0 429.565 0.681 20 0 ICADRO C[NH+](C)[C@@H](CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001544483596 1072119728 /nfs/dbraw/zinc/11/97/28/1072119728.db2.gz LZATWRXNKRSRCA-MOPGFXCFSA-N 1 0 436.578 0.127 20 0 ICADRO C[NH+](C)[C@@H](CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001544483597 1072119803 /nfs/dbraw/zinc/11/98/03/1072119803.db2.gz LZATWRXNKRSRCA-OALUTQOASA-N 1 0 436.578 0.127 20 0 ICADRO C[NH+](C)[C@H](CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001544483598 1072119740 /nfs/dbraw/zinc/11/97/40/1072119740.db2.gz LZATWRXNKRSRCA-RBUKOAKNSA-N 1 0 436.578 0.127 20 0 ICADRO C[NH+](C)[C@H](CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001544483599 1072119856 /nfs/dbraw/zinc/11/98/56/1072119856.db2.gz LZATWRXNKRSRCA-RTBURBONSA-N 1 0 436.578 0.127 20 0 ICADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cc21 ZINC001544493640 1072120723 /nfs/dbraw/zinc/12/07/23/1072120723.db2.gz ZEXYWOSOEHGKHG-KRWDZBQOSA-N 1 0 444.463 0.954 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001544495654 1072120700 /nfs/dbraw/zinc/12/07/00/1072120700.db2.gz GKICYQRHATVMPZ-YESZJQIVSA-N 1 0 442.586 0.572 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001544495656 1072120763 /nfs/dbraw/zinc/12/07/63/1072120763.db2.gz GKICYQRHATVMPZ-ZACQAIPSSA-N 1 0 442.586 0.572 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001544501578 1072120709 /nfs/dbraw/zinc/12/07/09/1072120709.db2.gz JUXHTXCCDPAYPD-DLBZAZTESA-N 1 0 438.598 0.975 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001544501581 1072120680 /nfs/dbraw/zinc/12/06/80/1072120680.db2.gz JUXHTXCCDPAYPD-IAGOWNOFSA-N 1 0 438.598 0.975 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001544501583 1072121293 /nfs/dbraw/zinc/12/12/93/1072121293.db2.gz JUXHTXCCDPAYPD-IRXDYDNUSA-N 1 0 438.598 0.975 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001544501585 1072121318 /nfs/dbraw/zinc/12/13/18/1072121318.db2.gz JUXHTXCCDPAYPD-SJORKVTESA-N 1 0 438.598 0.975 20 0 ICADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CC1 ZINC001544502553 1072121310 /nfs/dbraw/zinc/12/13/10/1072121310.db2.gz YKTRVQASOHFIHK-KRWDZBQOSA-N 1 0 438.598 0.629 20 0 ICADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CC1 ZINC001544502554 1072121335 /nfs/dbraw/zinc/12/13/35/1072121335.db2.gz YKTRVQASOHFIHK-QGZVFWFLSA-N 1 0 438.598 0.629 20 0 ICADRO CC1CC[NH+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001544508181 1072121351 /nfs/dbraw/zinc/12/13/51/1072121351.db2.gz JAUUMKYWWGOQPS-UHFFFAOYSA-N 1 0 441.602 0.231 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1CC[NH+]1CCC(C)CC1 ZINC001544509422 1072121377 /nfs/dbraw/zinc/12/13/77/1072121377.db2.gz WYLUOJCWGJSPTQ-UHFFFAOYSA-N 1 0 429.591 0.134 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[NH+]1CCC(C)CC1 ZINC001544509433 1072121277 /nfs/dbraw/zinc/12/12/77/1072121277.db2.gz XCLWPXGDMURTPX-UHFFFAOYSA-N 1 0 442.568 0.805 20 0 ICADRO CC1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CC1 ZINC001544520915 1072121741 /nfs/dbraw/zinc/12/17/41/1072121741.db2.gz LETDEHRRHLZKBN-KRWDZBQOSA-N 1 0 442.586 0.180 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CC1 ZINC001544520916 1072121688 /nfs/dbraw/zinc/12/16/88/1072121688.db2.gz LETDEHRRHLZKBN-QGZVFWFLSA-N 1 0 442.586 0.180 20 0 ICADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001544521122 1072121790 /nfs/dbraw/zinc/12/17/90/1072121790.db2.gz MEMYOKSMLBMGQN-KRWDZBQOSA-N 1 0 433.557 0.432 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001544521123 1072121735 /nfs/dbraw/zinc/12/17/35/1072121735.db2.gz MEMYOKSMLBMGQN-QGZVFWFLSA-N 1 0 433.557 0.432 20 0 ICADRO CC1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CC2)CC1 ZINC001544521742 1072121681 /nfs/dbraw/zinc/12/16/81/1072121681.db2.gz USXPJKAOHCACBA-KRWDZBQOSA-N 1 0 426.587 0.942 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CC2)CC1 ZINC001544521743 1072121765 /nfs/dbraw/zinc/12/17/65/1072121765.db2.gz USXPJKAOHCACBA-QGZVFWFLSA-N 1 0 426.587 0.942 20 0 ICADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001544521885 1072121630 /nfs/dbraw/zinc/12/16/30/1072121630.db2.gz XWUBSSOUOKTBNQ-KRWDZBQOSA-N 1 0 433.557 0.256 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001544522003 1072121797 /nfs/dbraw/zinc/12/17/97/1072121797.db2.gz XWUBSSOUOKTBNQ-QGZVFWFLSA-N 1 0 433.557 0.256 20 0 ICADRO CC1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001544528084 1072122215 /nfs/dbraw/zinc/12/22/15/1072122215.db2.gz UNNINULDHDFHID-QGZVFWFLSA-N 1 0 426.587 0.943 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 ZINC001544535655 1072122187 /nfs/dbraw/zinc/12/21/87/1072122187.db2.gz RSYMSNIVAKMZSR-BZUAXINKSA-N 1 0 433.557 0.443 20 0 ICADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 ZINC001544535656 1072122702 /nfs/dbraw/zinc/12/27/02/1072122702.db2.gz RSYMSNIVAKMZSR-OAGGEKHMSA-N 1 0 433.557 0.443 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001544535657 1072122803 /nfs/dbraw/zinc/12/28/03/1072122803.db2.gz RSYMSNIVAKMZSR-OWCLPIDISA-N 1 0 433.557 0.443 20 0 ICADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001544535658 1072122769 /nfs/dbraw/zinc/12/27/69/1072122769.db2.gz RSYMSNIVAKMZSR-XHSDSOJGSA-N 1 0 433.557 0.443 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001544545014 1072123188 /nfs/dbraw/zinc/12/31/88/1072123188.db2.gz QIGKLQAWYCWRSW-MSOLQXFVSA-N 1 0 447.584 0.418 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001544545016 1072123200 /nfs/dbraw/zinc/12/32/00/1072123200.db2.gz QIGKLQAWYCWRSW-QZTJIDSGSA-N 1 0 447.584 0.418 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001544545017 1072123165 /nfs/dbraw/zinc/12/31/65/1072123165.db2.gz QIGKLQAWYCWRSW-ROUUACIJSA-N 1 0 447.584 0.418 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001544545018 1072123231 /nfs/dbraw/zinc/12/32/31/1072123231.db2.gz QIGKLQAWYCWRSW-ZWKOTPCHSA-N 1 0 447.584 0.418 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2noc3c2COCC3)n1CCOCC[NH+](C)C ZINC001544559374 1072124183 /nfs/dbraw/zinc/12/41/83/1072124183.db2.gz BLHLFPUVMCDOCO-AWEZNQCLSA-N 1 0 433.513 0.251 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2noc3c2COCC3)n1CCOCC[NH+](C)C ZINC001544559376 1072124168 /nfs/dbraw/zinc/12/41/68/1072124168.db2.gz BLHLFPUVMCDOCO-CQSZACIVSA-N 1 0 433.513 0.251 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001544562356 1072124187 /nfs/dbraw/zinc/12/41/87/1072124187.db2.gz XRAKMDFXXMUSHB-INIZCTEOSA-N 1 0 429.573 0.372 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001544562357 1072124687 /nfs/dbraw/zinc/12/46/87/1072124687.db2.gz XRAKMDFXXMUSHB-MRXNPFEDSA-N 1 0 429.573 0.372 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001544567397 1072124748 /nfs/dbraw/zinc/12/47/48/1072124748.db2.gz FGQMJXRCZZISGB-DLBZAZTESA-N 1 0 440.614 0.966 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001544567398 1072124656 /nfs/dbraw/zinc/12/46/56/1072124656.db2.gz FGQMJXRCZZISGB-IAGOWNOFSA-N 1 0 440.614 0.966 20 0 ICADRO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001544567399 1072124727 /nfs/dbraw/zinc/12/47/27/1072124727.db2.gz FGQMJXRCZZISGB-IRXDYDNUSA-N 1 0 440.614 0.966 20 0 ICADRO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001544567400 1072125108 /nfs/dbraw/zinc/12/51/08/1072125108.db2.gz FGQMJXRCZZISGB-SJORKVTESA-N 1 0 440.614 0.966 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2cn3ccccc3n2)n1CCOCC[NH+](C)C ZINC001544575802 1072126166 /nfs/dbraw/zinc/12/61/66/1072126166.db2.gz GZCCUZUKCOAQRI-KRWDZBQOSA-N 1 0 440.552 0.762 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2cn3ccccc3n2)n1CCOCC[NH+](C)C ZINC001544575803 1072126098 /nfs/dbraw/zinc/12/60/98/1072126098.db2.gz GZCCUZUKCOAQRI-QGZVFWFLSA-N 1 0 440.552 0.762 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001544577028 1072126064 /nfs/dbraw/zinc/12/60/64/1072126064.db2.gz XJDPOOQTIFRXLD-BTYIYWSLSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001544577029 1072126154 /nfs/dbraw/zinc/12/61/54/1072126154.db2.gz XJDPOOQTIFRXLD-QVKFZJNVSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001544577030 1072126708 /nfs/dbraw/zinc/12/67/08/1072126708.db2.gz XJDPOOQTIFRXLD-VFNWGFHPSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001544577031 1072126680 /nfs/dbraw/zinc/12/66/80/1072126680.db2.gz XJDPOOQTIFRXLD-YCRPNKLZSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC(=O)N1C ZINC001544593306 1072127628 /nfs/dbraw/zinc/12/76/28/1072127628.db2.gz XLQGDWBAJOQVLA-FOIQADDNSA-N 1 0 435.598 0.618 20 0 ICADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC(=O)N1C ZINC001544593307 1072127676 /nfs/dbraw/zinc/12/76/76/1072127676.db2.gz XLQGDWBAJOQVLA-MGPUTAFESA-N 1 0 435.598 0.618 20 0 ICADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC(=O)N1C ZINC001544593308 1072127606 /nfs/dbraw/zinc/12/76/06/1072127606.db2.gz XLQGDWBAJOQVLA-QRWLVFNGSA-N 1 0 435.598 0.618 20 0 ICADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC(=O)N1C ZINC001544593309 1072127648 /nfs/dbraw/zinc/12/76/48/1072127648.db2.gz XLQGDWBAJOQVLA-YWZLYKJASA-N 1 0 435.598 0.618 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)[C@H]1c1ccnn1C ZINC001544620593 1072128599 /nfs/dbraw/zinc/12/85/99/1072128599.db2.gz JNJCOWOXASAUPZ-RTWAWAEBSA-N 1 0 432.569 0.383 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001544621227 1072128519 /nfs/dbraw/zinc/12/85/19/1072128519.db2.gz PIXSPDTZFHWGIV-KBXCAEBGSA-N 1 0 444.623 0.451 20 0 ICADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001544621239 1072128549 /nfs/dbraw/zinc/12/85/49/1072128549.db2.gz PIXSPDTZFHWGIV-KDOFPFPSSA-N 1 0 444.623 0.451 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001544621241 1072128661 /nfs/dbraw/zinc/12/86/61/1072128661.db2.gz PIXSPDTZFHWGIV-KSSFIOAISA-N 1 0 444.623 0.451 20 0 ICADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001544621244 1072128556 /nfs/dbraw/zinc/12/85/56/1072128556.db2.gz PIXSPDTZFHWGIV-RDTXWAMCSA-N 1 0 444.623 0.451 20 0 ICADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629395 1072129044 /nfs/dbraw/zinc/12/90/44/1072129044.db2.gz SUDNPUBQFJSNAF-DZGCQCFKSA-N 1 0 429.564 0.487 20 0 ICADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629396 1072129091 /nfs/dbraw/zinc/12/90/91/1072129091.db2.gz SUDNPUBQFJSNAF-HIFRSBDPSA-N 1 0 429.564 0.487 20 0 ICADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629397 1072129027 /nfs/dbraw/zinc/12/90/27/1072129027.db2.gz SUDNPUBQFJSNAF-UKRRQHHQSA-N 1 0 429.564 0.487 20 0 ICADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629398 1072129078 /nfs/dbraw/zinc/12/90/78/1072129078.db2.gz SUDNPUBQFJSNAF-ZFWWWQNUSA-N 1 0 429.564 0.487 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001544639165 1072130872 /nfs/dbraw/zinc/13/08/72/1072130872.db2.gz BSTNEEICVFNDHS-CYJAXWMASA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001544639166 1072130953 /nfs/dbraw/zinc/13/09/53/1072130953.db2.gz BSTNEEICVFNDHS-JEWRLFTDSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001544639167 1072130802 /nfs/dbraw/zinc/13/08/02/1072130802.db2.gz BSTNEEICVFNDHS-OAFZBRQQSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001544639168 1072131410 /nfs/dbraw/zinc/13/14/10/1072131410.db2.gz BSTNEEICVFNDHS-RCJHGTSTSA-N 1 0 444.602 0.613 20 0 ICADRO CN1C[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001544644346 1072132514 /nfs/dbraw/zinc/13/25/14/1072132514.db2.gz GAKMKUSJLOMEGE-FDDCHVKYSA-N 1 0 446.548 0.817 20 0 ICADRO CN1C[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001544644349 1072132465 /nfs/dbraw/zinc/13/24/65/1072132465.db2.gz GAKMKUSJLOMEGE-JPYJTQIMSA-N 1 0 446.548 0.817 20 0 ICADRO CN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001544644351 1072132519 /nfs/dbraw/zinc/13/25/19/1072132519.db2.gz GAKMKUSJLOMEGE-MBSDFSHPSA-N 1 0 446.548 0.817 20 0 ICADRO CN1C[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001544644353 1072132417 /nfs/dbraw/zinc/13/24/17/1072132417.db2.gz GAKMKUSJLOMEGE-WZONZLPQSA-N 1 0 446.548 0.817 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccnn1C ZINC001544644796 1072132533 /nfs/dbraw/zinc/13/25/33/1072132533.db2.gz JMEXIPGEZFVDJK-FUPPJEDESA-N 1 0 441.532 0.462 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccnn1C ZINC001544644805 1072132328 /nfs/dbraw/zinc/13/23/28/1072132328.db2.gz JMEXIPGEZFVDJK-GIWBLDEGSA-N 1 0 441.532 0.462 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001544646101 1072132365 /nfs/dbraw/zinc/13/23/65/1072132365.db2.gz WRECYQJAWUVELK-HTAPYJJXSA-N 1 0 447.557 0.713 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001544646102 1072132451 /nfs/dbraw/zinc/13/24/51/1072132451.db2.gz WRECYQJAWUVELK-JTSKRJEESA-N 1 0 447.557 0.713 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001544646104 1072132548 /nfs/dbraw/zinc/13/25/48/1072132548.db2.gz WRECYQJAWUVELK-VGOFRKELSA-N 1 0 447.557 0.713 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001544646106 1072132391 /nfs/dbraw/zinc/13/23/91/1072132391.db2.gz WRECYQJAWUVELK-VGSWGCGISA-N 1 0 447.557 0.713 20 0 ICADRO NS(=O)(=O)c1ccc(NCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001544646123 1072132430 /nfs/dbraw/zinc/13/24/30/1072132430.db2.gz XBIBLUUZSQOKMU-FQEVSTJZSA-N 1 0 436.509 0.638 20 0 ICADRO NS(=O)(=O)c1ccc(NCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001544646124 1072132480 /nfs/dbraw/zinc/13/24/80/1072132480.db2.gz XBIBLUUZSQOKMU-HXUWFJFHSA-N 1 0 436.509 0.638 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CC[NH+]1CCCC1 ZINC001544649798 1072133040 /nfs/dbraw/zinc/13/30/40/1072133040.db2.gz CLRGYRGXJBZBFE-BFYDXBDKSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CC[NH+]1CCCC1 ZINC001544649799 1072133101 /nfs/dbraw/zinc/13/31/01/1072133101.db2.gz CLRGYRGXJBZBFE-HLLBOEOZSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CC[NH+]1CCCC1 ZINC001544649800 1072132440 /nfs/dbraw/zinc/13/24/40/1072132440.db2.gz CLRGYRGXJBZBFE-INMHGKMJSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CC[NH+]1CCCC1 ZINC001544649801 1072133121 /nfs/dbraw/zinc/13/31/21/1072133121.db2.gz CLRGYRGXJBZBFE-VYDXJSESSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001544651019 1072133112 /nfs/dbraw/zinc/13/31/12/1072133112.db2.gz ILPHWCMAKYEDDP-BZUAXINKSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001544651021 1072133107 /nfs/dbraw/zinc/13/31/07/1072133107.db2.gz ILPHWCMAKYEDDP-OAGGEKHMSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001544651023 1072133080 /nfs/dbraw/zinc/13/30/80/1072133080.db2.gz ILPHWCMAKYEDDP-OWCLPIDISA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001544651025 1072133122 /nfs/dbraw/zinc/13/31/22/1072133122.db2.gz ILPHWCMAKYEDDP-PMPSAXMXSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001544654125 1072133489 /nfs/dbraw/zinc/13/34/89/1072133489.db2.gz PBAVNLBQWDZCEC-BRWVUGGUSA-N 1 0 444.602 0.614 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001544654127 1072133441 /nfs/dbraw/zinc/13/34/41/1072133441.db2.gz PBAVNLBQWDZCEC-ZACQAIPSSA-N 1 0 444.602 0.614 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001544672646 1072134449 /nfs/dbraw/zinc/13/44/49/1072134449.db2.gz GTYLUDRRYDOKAE-JLTOFOAXSA-N 1 0 425.530 0.668 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001544672647 1072134587 /nfs/dbraw/zinc/13/45/87/1072134587.db2.gz GTYLUDRRYDOKAE-VBKZILBWSA-N 1 0 425.530 0.668 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001544672648 1072134441 /nfs/dbraw/zinc/13/44/41/1072134441.db2.gz GTYLUDRRYDOKAE-VLIAUNLRSA-N 1 0 425.530 0.668 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001544672649 1072134510 /nfs/dbraw/zinc/13/45/10/1072134510.db2.gz GTYLUDRRYDOKAE-XOBRGWDASA-N 1 0 425.530 0.668 20 0 ICADRO C[NH+](C)CCn1c2cc(C(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)ccc2[nH]c1=O ZINC001544674008 1072135157 /nfs/dbraw/zinc/13/51/57/1072135157.db2.gz QELLFLNCUWIMLW-NRFANRHFSA-N 1 0 428.493 0.754 20 0 ICADRO C[NH+](C)CCn1c2cc(C(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)ccc2[nH]c1=O ZINC001544674012 1072135133 /nfs/dbraw/zinc/13/51/33/1072135133.db2.gz QELLFLNCUWIMLW-OAQYLSRUSA-N 1 0 428.493 0.754 20 0 ICADRO C[C@H]1CC[N@H+](CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001544681195 1072135687 /nfs/dbraw/zinc/13/56/87/1072135687.db2.gz SHYMVVAKPLUJMQ-HNNXBMFYSA-N 1 0 430.571 0.422 20 0 ICADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001544681197 1072135605 /nfs/dbraw/zinc/13/56/05/1072135605.db2.gz SHYMVVAKPLUJMQ-OAHLLOKOSA-N 1 0 430.571 0.422 20 0 ICADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001544685783 1072135658 /nfs/dbraw/zinc/13/56/58/1072135658.db2.gz XDURHTWLZCOSKS-UHFFFAOYSA-N 1 0 428.551 0.727 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc(N2CCOCC2)n1 ZINC001544727778 1072137748 /nfs/dbraw/zinc/13/77/48/1072137748.db2.gz KFPKIBQRDKMJNN-IBGZPJMESA-N 1 0 426.521 0.332 20 0 ICADRO CC(C)(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001544759950 1072140197 /nfs/dbraw/zinc/14/01/97/1072140197.db2.gz PKEKWISIAFMANA-UHFFFAOYSA-N 1 0 431.580 0.748 20 0 ICADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC001544765885 1072140215 /nfs/dbraw/zinc/14/02/15/1072140215.db2.gz YVPAAYQNQUVOOP-AWEZNQCLSA-N 1 0 446.595 0.815 20 0 ICADRO CN1CCn2ncc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)c2S1(=O)=O ZINC001544768184 1072140179 /nfs/dbraw/zinc/14/01/79/1072140179.db2.gz QZHDZFVXNFRZCH-UHFFFAOYSA-N 1 0 427.477 0.999 20 0 ICADRO CC[NH+]1CCC(CCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001544792387 1072141165 /nfs/dbraw/zinc/14/11/65/1072141165.db2.gz CYLQJOKGOSYLSZ-UHFFFAOYSA-N 1 0 431.580 0.607 20 0 ICADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC001544799005 1072141626 /nfs/dbraw/zinc/14/16/26/1072141626.db2.gz OXTHRAWBTJJDEY-FQEVSTJZSA-N 1 0 440.544 0.761 20 0 ICADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC001544799006 1072141596 /nfs/dbraw/zinc/14/15/96/1072141596.db2.gz OXTHRAWBTJJDEY-HXUWFJFHSA-N 1 0 440.544 0.761 20 0 ICADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001544799319 1072142241 /nfs/dbraw/zinc/14/22/41/1072142241.db2.gz YFRIVHCMOLBSOH-IBGZPJMESA-N 1 0 426.517 0.686 20 0 ICADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001544799321 1072142249 /nfs/dbraw/zinc/14/22/49/1072142249.db2.gz YFRIVHCMOLBSOH-LJQANCHMSA-N 1 0 426.517 0.686 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001544811372 1072142124 /nfs/dbraw/zinc/14/21/24/1072142124.db2.gz MWEYLAABZIUHBA-KBXCAEBGSA-N 1 0 442.490 0.818 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001544811373 1072142194 /nfs/dbraw/zinc/14/21/94/1072142194.db2.gz MWEYLAABZIUHBA-KDOFPFPSSA-N 1 0 442.490 0.818 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001544811374 1072142207 /nfs/dbraw/zinc/14/22/07/1072142207.db2.gz MWEYLAABZIUHBA-KSSFIOAISA-N 1 0 442.490 0.818 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001544811375 1072142109 /nfs/dbraw/zinc/14/21/09/1072142109.db2.gz MWEYLAABZIUHBA-RDTXWAMCSA-N 1 0 442.490 0.818 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001544818350 1072142548 /nfs/dbraw/zinc/14/25/48/1072142548.db2.gz ALIASKHQKVJBPG-AEFFLSMTSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001544818353 1072142617 /nfs/dbraw/zinc/14/26/17/1072142617.db2.gz ALIASKHQKVJBPG-FUHWJXTLSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001544818355 1072142722 /nfs/dbraw/zinc/14/27/22/1072142722.db2.gz ALIASKHQKVJBPG-SJLPKXTDSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001544818357 1072142522 /nfs/dbraw/zinc/14/25/22/1072142522.db2.gz ALIASKHQKVJBPG-WMZOPIPTSA-N 1 0 430.557 0.582 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001544821460 1072142637 /nfs/dbraw/zinc/14/26/37/1072142637.db2.gz ZDXSXJKKSQILPR-AEFFLSMTSA-N 1 0 430.557 0.846 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001544821462 1072142654 /nfs/dbraw/zinc/14/26/54/1072142654.db2.gz ZDXSXJKKSQILPR-FUHWJXTLSA-N 1 0 430.557 0.846 20 0 ICADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001544821464 1072142493 /nfs/dbraw/zinc/14/24/93/1072142493.db2.gz ZDXSXJKKSQILPR-SJLPKXTDSA-N 1 0 430.557 0.846 20 0 ICADRO 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F ZINC001545100689 1072167075 /nfs/dbraw/zinc/16/70/75/1072167075.db2.gz BGMGDDBMNBRHJW-UONOGXRCSA-N 1 0 425.484 0.568 20 0 ICADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F ZINC001545100690 1072167141 /nfs/dbraw/zinc/16/71/41/1072167141.db2.gz BGMGDDBMNBRHJW-ZIAGYGMSSA-N 1 0 425.484 0.568 20 0 ICADRO C[C@H]1C[N@H+](CCCn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CCCO1 ZINC001545100950 1072167107 /nfs/dbraw/zinc/16/71/07/1072167107.db2.gz FNDGFGUVXRDIDI-KRWDZBQOSA-N 1 0 433.557 0.228 20 0 ICADRO C[C@@H]1C[N@H+](CCCn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CCCO1 ZINC001545100951 1072166931 /nfs/dbraw/zinc/16/69/31/1072166931.db2.gz FNDGFGUVXRDIDI-QGZVFWFLSA-N 1 0 433.557 0.228 20 0 ICADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O ZINC001545101383 1072166998 /nfs/dbraw/zinc/16/69/98/1072166998.db2.gz MNWLAVGVWVTTLO-CABCVRRESA-N 1 0 433.538 0.643 20 0 ICADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O ZINC001545101384 1072167023 /nfs/dbraw/zinc/16/70/23/1072167023.db2.gz MNWLAVGVWVTTLO-GJZGRUSLSA-N 1 0 433.538 0.643 20 0 ICADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O ZINC001545101385 1072167189 /nfs/dbraw/zinc/16/71/89/1072167189.db2.gz MNWLAVGVWVTTLO-HUUCEWRRSA-N 1 0 433.538 0.643 20 0 ICADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O ZINC001545101386 1072167128 /nfs/dbraw/zinc/16/71/28/1072167128.db2.gz MNWLAVGVWVTTLO-LSDHHAIUSA-N 1 0 433.538 0.643 20 0 ICADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C ZINC001545104472 1072166893 /nfs/dbraw/zinc/16/68/93/1072166893.db2.gz RBKFZODUTOCXSM-AEFFLSMTSA-N 1 0 433.582 0.828 20 0 ICADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C ZINC001545104473 1072167151 /nfs/dbraw/zinc/16/71/51/1072167151.db2.gz RBKFZODUTOCXSM-FUHWJXTLSA-N 1 0 433.582 0.828 20 0 ICADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C ZINC001545104474 1072167089 /nfs/dbraw/zinc/16/70/89/1072167089.db2.gz RBKFZODUTOCXSM-SJLPKXTDSA-N 1 0 433.582 0.828 20 0 ICADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C ZINC001545104475 1072166908 /nfs/dbraw/zinc/16/69/08/1072166908.db2.gz RBKFZODUTOCXSM-WMZOPIPTSA-N 1 0 433.582 0.828 20 0 ICADRO C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001545116064 1072169115 /nfs/dbraw/zinc/16/91/15/1072169115.db2.gz BNYBGIWVVVRTCA-FGTMMUONSA-N 1 0 441.598 0.642 20 0 ICADRO C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001545116065 1072168985 /nfs/dbraw/zinc/16/89/85/1072168985.db2.gz BNYBGIWVVVRTCA-KURKYZTESA-N 1 0 441.598 0.642 20 0 ICADRO C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001545116066 1072169061 /nfs/dbraw/zinc/16/90/61/1072169061.db2.gz BNYBGIWVVVRTCA-KZNAEPCWSA-N 1 0 441.598 0.642 20 0 ICADRO C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001545116067 1072169154 /nfs/dbraw/zinc/16/91/54/1072169154.db2.gz BNYBGIWVVVRTCA-SQNIBIBYSA-N 1 0 441.598 0.642 20 0 ICADRO C[C@@H]1CSCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001545131284 1072172644 /nfs/dbraw/zinc/17/26/44/1072172644.db2.gz KGZPKIMGFHOBGI-CVEARBPZSA-N 1 0 444.627 0.649 20 0 ICADRO C[C@H]1CSCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001545131285 1072172588 /nfs/dbraw/zinc/17/25/88/1072172588.db2.gz KGZPKIMGFHOBGI-HOTGVXAUSA-N 1 0 444.627 0.649 20 0 ICADRO C[C@@H]1CSCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001545131286 1072172539 /nfs/dbraw/zinc/17/25/39/1072172539.db2.gz KGZPKIMGFHOBGI-HZPDHXFCSA-N 1 0 444.627 0.649 20 0 ICADRO C[C@H]1CSCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001545131287 1072172614 /nfs/dbraw/zinc/17/26/14/1072172614.db2.gz KGZPKIMGFHOBGI-JKSUJKDBSA-N 1 0 444.627 0.649 20 0 ICADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001545175648 1072180163 /nfs/dbraw/zinc/18/01/63/1072180163.db2.gz SULNQBQHKABYFE-FGTMMUONSA-N 1 0 447.584 0.571 20 0 ICADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001545175649 1072180225 /nfs/dbraw/zinc/18/02/25/1072180225.db2.gz SULNQBQHKABYFE-KURKYZTESA-N 1 0 447.584 0.571 20 0 ICADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001545175650 1072180233 /nfs/dbraw/zinc/18/02/33/1072180233.db2.gz SULNQBQHKABYFE-KZNAEPCWSA-N 1 0 447.584 0.571 20 0 ICADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001545175651 1072180096 /nfs/dbraw/zinc/18/00/96/1072180096.db2.gz SULNQBQHKABYFE-SQNIBIBYSA-N 1 0 447.584 0.571 20 0 ICADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001545182951 1072181353 /nfs/dbraw/zinc/18/13/53/1072181353.db2.gz SVECSJKJKFROFX-GOSISDBHSA-N 1 0 429.631 0.557 20 0 ICADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001545182952 1072181299 /nfs/dbraw/zinc/18/12/99/1072181299.db2.gz SVECSJKJKFROFX-SFHVURJKSA-N 1 0 429.631 0.557 20 0 ICADRO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC001545186737 1072182048 /nfs/dbraw/zinc/18/20/48/1072182048.db2.gz LGXUIKAIZYFLIW-UHFFFAOYSA-N 1 0 440.566 0.538 20 0 ICADRO COc1nc(N2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)ncc1Br ZINC001545187271 1072181871 /nfs/dbraw/zinc/18/18/71/1072181871.db2.gz ZAYWRIUWCGIWAN-KRWDZBQOSA-N 1 0 428.331 0.743 20 0 ICADRO COc1nc(N2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)ncc1Br ZINC001545187272 1072181992 /nfs/dbraw/zinc/18/19/92/1072181992.db2.gz ZAYWRIUWCGIWAN-QGZVFWFLSA-N 1 0 428.331 0.743 20 0 ICADRO CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001545224329 1072184978 /nfs/dbraw/zinc/18/49/78/1072184978.db2.gz DNNAFTXUFNXCJG-MRUHUIDDSA-N 1 0 433.557 0.133 20 0 ICADRO CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001545224330 1072184947 /nfs/dbraw/zinc/18/49/47/1072184947.db2.gz DNNAFTXUFNXCJG-QYWGDWMGSA-N 1 0 433.557 0.133 20 0 ICADRO CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001545224331 1072184874 /nfs/dbraw/zinc/18/48/74/1072184874.db2.gz DNNAFTXUFNXCJG-XFQAVAEZSA-N 1 0 433.557 0.133 20 0 ICADRO CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001545224332 1072184825 /nfs/dbraw/zinc/18/48/25/1072184825.db2.gz DNNAFTXUFNXCJG-ZOCZFRKYSA-N 1 0 433.557 0.133 20 0 ICADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001545231153 1072186031 /nfs/dbraw/zinc/18/60/31/1072186031.db2.gz AKRFSBQQOPNURW-UHFFFAOYSA-N 1 0 438.594 0.588 20 0 ICADRO C[NH+](C)C1CCN(CCNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001545231565 1072186661 /nfs/dbraw/zinc/18/66/61/1072186661.db2.gz PGSWEALMKIYINV-UHFFFAOYSA-N 1 0 445.607 0.261 20 0 ICADRO CN(C)CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001545240101 1072187227 /nfs/dbraw/zinc/18/72/27/1072187227.db2.gz IFFSNYWJULZLSB-CVEARBPZSA-N 1 0 434.603 0.409 20 0 ICADRO CN(C)CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545240102 1072187201 /nfs/dbraw/zinc/18/72/01/1072187201.db2.gz IFFSNYWJULZLSB-HOTGVXAUSA-N 1 0 434.603 0.409 20 0 ICADRO CN(C)CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001545240103 1072187144 /nfs/dbraw/zinc/18/71/44/1072187144.db2.gz IFFSNYWJULZLSB-HZPDHXFCSA-N 1 0 434.603 0.409 20 0 ICADRO CN(C)CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545240104 1072187118 /nfs/dbraw/zinc/18/71/18/1072187118.db2.gz IFFSNYWJULZLSB-JKSUJKDBSA-N 1 0 434.603 0.409 20 0 ICADRO CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545269451 1072189469 /nfs/dbraw/zinc/18/94/69/1072189469.db2.gz HHUUKRYTIVQCFU-DLBZAZTESA-N 1 0 446.614 0.505 20 0 ICADRO CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001545269452 1072189379 /nfs/dbraw/zinc/18/93/79/1072189379.db2.gz HHUUKRYTIVQCFU-IAGOWNOFSA-N 1 0 446.614 0.505 20 0 ICADRO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001545269453 1072189547 /nfs/dbraw/zinc/18/95/47/1072189547.db2.gz HHUUKRYTIVQCFU-IRXDYDNUSA-N 1 0 446.614 0.505 20 0 ICADRO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001545269454 1072189502 /nfs/dbraw/zinc/18/95/02/1072189502.db2.gz HHUUKRYTIVQCFU-SJORKVTESA-N 1 0 446.614 0.505 20 0 ICADRO C[NH+](C)CCCN(C(=O)Cn1ccc(Br)cc1=O)[C@H]1CCS(=O)(=O)C1 ZINC001545269946 1072189511 /nfs/dbraw/zinc/18/95/11/1072189511.db2.gz RTAWTNUWMRLMJU-AWEZNQCLSA-N 1 0 434.356 0.578 20 0 ICADRO C[NH+](C)CCCN(C(=O)Cn1ccc(Br)cc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001545269947 1072189454 /nfs/dbraw/zinc/18/94/54/1072189454.db2.gz RTAWTNUWMRLMJU-CQSZACIVSA-N 1 0 434.356 0.578 20 0 ICADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)CC1 ZINC001545344584 1072192259 /nfs/dbraw/zinc/19/22/59/1072192259.db2.gz RZNFPFFYYVAHFP-INIZCTEOSA-N 1 0 427.567 0.965 20 0 ICADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)CC1 ZINC001545344585 1072192084 /nfs/dbraw/zinc/19/20/84/1072192084.db2.gz RZNFPFFYYVAHFP-MRXNPFEDSA-N 1 0 427.567 0.965 20 0 ICADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@H]21 ZINC001545434831 1072194659 /nfs/dbraw/zinc/19/46/59/1072194659.db2.gz PLLXPDPVNXODCT-BLLLJJGKSA-N 1 0 428.942 0.660 20 0 ICADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@@H]21 ZINC001545434832 1072195372 /nfs/dbraw/zinc/19/53/72/1072195372.db2.gz PLLXPDPVNXODCT-LRDDRELGSA-N 1 0 428.942 0.660 20 0 ICADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@H]21 ZINC001545434833 1072195496 /nfs/dbraw/zinc/19/54/96/1072195496.db2.gz PLLXPDPVNXODCT-MLGOLLRUSA-N 1 0 428.942 0.660 20 0 ICADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@@H]21 ZINC001545434834 1072195604 /nfs/dbraw/zinc/19/56/04/1072195604.db2.gz PLLXPDPVNXODCT-WBMJQRKESA-N 1 0 428.942 0.660 20 0 ICADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@@H]21 ZINC001545434911 1072195482 /nfs/dbraw/zinc/19/54/82/1072195482.db2.gz ROFICODJLMQNLS-PBHICJAKSA-N 1 0 429.564 0.311 20 0 ICADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@H]21 ZINC001545434912 1072195579 /nfs/dbraw/zinc/19/55/79/1072195579.db2.gz ROFICODJLMQNLS-RHSMWYFYSA-N 1 0 429.564 0.311 20 0 ICADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@H]21 ZINC001545434913 1072195312 /nfs/dbraw/zinc/19/53/12/1072195312.db2.gz ROFICODJLMQNLS-WMLDXEAASA-N 1 0 429.564 0.311 20 0 ICADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@@H]21 ZINC001545434914 1072195320 /nfs/dbraw/zinc/19/53/20/1072195320.db2.gz ROFICODJLMQNLS-YOEHRIQHSA-N 1 0 429.564 0.311 20 0 ICADRO CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437726 1072195433 /nfs/dbraw/zinc/19/54/33/1072195433.db2.gz DZSJAYQBSYEIAJ-DLBZAZTESA-N 1 0 427.619 0.557 20 0 ICADRO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437727 1072195270 /nfs/dbraw/zinc/19/52/70/1072195270.db2.gz DZSJAYQBSYEIAJ-IAGOWNOFSA-N 1 0 427.619 0.557 20 0 ICADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437728 1072195521 /nfs/dbraw/zinc/19/55/21/1072195521.db2.gz DZSJAYQBSYEIAJ-IRXDYDNUSA-N 1 0 427.619 0.557 20 0 ICADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437729 1072195344 /nfs/dbraw/zinc/19/53/44/1072195344.db2.gz DZSJAYQBSYEIAJ-SJORKVTESA-N 1 0 427.619 0.557 20 0 ICADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438486 1072195555 /nfs/dbraw/zinc/19/55/55/1072195555.db2.gz RZTYHEGKVBTXKX-MSOLQXFVSA-N 1 0 441.646 0.947 20 0 ICADRO 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CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001546522506 1072211953 /nfs/dbraw/zinc/21/19/53/1072211953.db2.gz ZILQUKKRTSBCMA-CYBMUJFWSA-N 1 0 431.463 0.262 20 0 ICADRO CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001546522507 1072212079 /nfs/dbraw/zinc/21/20/79/1072212079.db2.gz ZILQUKKRTSBCMA-ZDUSSCGKSA-N 1 0 431.463 0.262 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001546522616 1072211983 /nfs/dbraw/zinc/21/19/83/1072211983.db2.gz DKKHUOSEENXCFB-UHFFFAOYSA-N 1 0 430.561 0.440 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cccn(CC)c1=O ZINC001546522737 1072211924 /nfs/dbraw/zinc/21/19/24/1072211924.db2.gz IWHKOUUGYWEITL-UHFFFAOYSA-N 1 0 427.553 0.815 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CCN1CCOCC1(C)C ZINC001546522742 1072212119 /nfs/dbraw/zinc/21/21/19/1072212119.db2.gz JFMOPVLLUQJYJU-UHFFFAOYSA-N 1 0 435.617 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001546522766 1072211967 /nfs/dbraw/zinc/21/19/67/1072211967.db2.gz JSZCUBMTCJCXPW-FQEVSTJZSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001546522767 1072212035 /nfs/dbraw/zinc/21/20/35/1072212035.db2.gz JSZCUBMTCJCXPW-HXUWFJFHSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1cn(C2COC2)nn1 ZINC001546522850 1072212645 /nfs/dbraw/zinc/21/26/45/1072212645.db2.gz MGGGHRULUOGYBJ-UHFFFAOYSA-N 1 0 431.545 0.042 20 0 ICADRO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001546522999 1072212545 /nfs/dbraw/zinc/21/25/45/1072212545.db2.gz UCHCBOUEBQNBOL-JOCHJYFZSA-N 1 0 446.527 0.774 20 0 ICADRO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001546523000 1072212576 /nfs/dbraw/zinc/21/25/76/1072212576.db2.gz UCHCBOUEBQNBOL-QFIPXVFZSA-N 1 0 446.527 0.774 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001546523011 1072212635 /nfs/dbraw/zinc/21/26/35/1072212635.db2.gz UJPJPQJSHGTYBO-UHFFFAOYSA-N 1 0 429.569 0.886 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCN1CCCCC1=O ZINC001546523064 1072212568 /nfs/dbraw/zinc/21/25/68/1072212568.db2.gz WBZBMWQFNYPMDD-UHFFFAOYSA-N 1 0 431.585 0.988 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001546523101 1072212664 /nfs/dbraw/zinc/21/26/64/1072212664.db2.gz XSRCQWUMZJFAGO-IBGZPJMESA-N 1 0 431.585 0.843 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001546523102 1072212591 /nfs/dbraw/zinc/21/25/91/1072212591.db2.gz XSRCQWUMZJFAGO-LJQANCHMSA-N 1 0 431.585 0.843 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001546523104 1072212558 /nfs/dbraw/zinc/21/25/58/1072212558.db2.gz XUTZRHCJQAOCDI-GOSISDBHSA-N 1 0 444.588 0.688 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001546523105 1072212626 /nfs/dbraw/zinc/21/26/26/1072212626.db2.gz XUTZRHCJQAOCDI-SFHVURJKSA-N 1 0 444.588 0.688 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001546523106 1072212678 /nfs/dbraw/zinc/21/26/78/1072212678.db2.gz XVAIEOKILMJBRE-FQEVSTJZSA-N 1 0 447.628 0.943 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001546523107 1072212583 /nfs/dbraw/zinc/21/25/83/1072212583.db2.gz XVAIEOKILMJBRE-HXUWFJFHSA-N 1 0 447.628 0.943 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001546523147 1072212609 /nfs/dbraw/zinc/21/26/09/1072212609.db2.gz ZDHUCFNWFAZUPE-UHFFFAOYSA-N 1 0 433.601 0.696 20 0 ICADRO CCc1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001546523276 1072213164 /nfs/dbraw/zinc/21/31/64/1072213164.db2.gz GJBWCVCEWJXVRW-IBGZPJMESA-N 1 0 427.553 0.917 20 0 ICADRO CCc1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001546523277 1072213046 /nfs/dbraw/zinc/21/30/46/1072213046.db2.gz GJBWCVCEWJXVRW-LJQANCHMSA-N 1 0 427.553 0.917 20 0 ICADRO CCc1nnc(N2CCN(c3nccc(OC)n3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001546531703 1072214215 /nfs/dbraw/zinc/21/42/15/1072214215.db2.gz ILWVOLCGUUQMRS-KRWDZBQOSA-N 1 0 430.557 0.934 20 0 ICADRO CCc1nnc(N2CCN(c3nccc(OC)n3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001546531704 1072214703 /nfs/dbraw/zinc/21/47/03/1072214703.db2.gz ILWVOLCGUUQMRS-QGZVFWFLSA-N 1 0 430.557 0.934 20 0 ICADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546534695 1072214765 /nfs/dbraw/zinc/21/47/65/1072214765.db2.gz KZABCDCDXDFXFY-SJLPKXTDSA-N 1 0 440.614 0.954 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546534762 1072214782 /nfs/dbraw/zinc/21/47/82/1072214782.db2.gz NBZWGONGHXIOEX-UHFFFAOYSA-N 1 0 435.617 0.678 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001546534768 1072214786 /nfs/dbraw/zinc/21/47/86/1072214786.db2.gz NNGKTMQLHSHZID-FQEVSTJZSA-N 1 0 446.644 0.611 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001546534769 1072215407 /nfs/dbraw/zinc/21/54/07/1072215407.db2.gz NNGKTMQLHSHZID-HXUWFJFHSA-N 1 0 446.644 0.611 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1CC[NH+]1CCSCC1 ZINC001546535543 1072215238 /nfs/dbraw/zinc/21/52/38/1072215238.db2.gz LJSFVUCWZOMRKE-UHFFFAOYSA-N 1 0 448.597 0.946 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001546535946 1072215289 /nfs/dbraw/zinc/21/52/89/1072215289.db2.gz YZGBXOGJIKJOQR-GOSISDBHSA-N 1 0 435.617 0.988 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001546535947 1072215420 /nfs/dbraw/zinc/21/54/20/1072215420.db2.gz YZGBXOGJIKJOQR-SFHVURJKSA-N 1 0 435.617 0.988 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)NCCOC)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001546536600 1072215822 /nfs/dbraw/zinc/21/58/22/1072215822.db2.gz SGLBKRZEWDLKEQ-UHFFFAOYSA-N 1 0 435.617 0.847 20 0 ICADRO CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001546537329 1072215782 /nfs/dbraw/zinc/21/57/82/1072215782.db2.gz OVTIZBRWIRYSMM-UHFFFAOYSA-N 1 0 425.559 0.726 20 0 ICADRO CCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001546538385 1072215957 /nfs/dbraw/zinc/21/59/57/1072215957.db2.gz UYPXDJIVJRGNFP-IBGZPJMESA-N 1 0 442.564 0.978 20 0 ICADRO CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001546538386 1072215874 /nfs/dbraw/zinc/21/58/74/1072215874.db2.gz UYPXDJIVJRGNFP-LJQANCHMSA-N 1 0 442.564 0.978 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001546539971 1072216547 /nfs/dbraw/zinc/21/65/47/1072216547.db2.gz AWGPGGNTSXZGDL-JQVVWYNYSA-N 1 0 436.601 0.612 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001546539972 1072216618 /nfs/dbraw/zinc/21/66/18/1072216618.db2.gz AWGPGGNTSXZGDL-KNKQGSTJSA-N 1 0 436.601 0.612 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001546539973 1072216432 /nfs/dbraw/zinc/21/64/32/1072216432.db2.gz AWGPGGNTSXZGDL-NNMXDRDESA-N 1 0 436.601 0.612 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001546539974 1072216468 /nfs/dbraw/zinc/21/64/68/1072216468.db2.gz AWGPGGNTSXZGDL-WOIUINJBSA-N 1 0 436.601 0.612 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1([S@](C)=O)CC1 ZINC001546540171 1072216393 /nfs/dbraw/zinc/21/63/93/1072216393.db2.gz HEBGHIJJXJFLHS-JJCDCTGGSA-N 1 0 438.642 0.983 20 0 ICADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1([S@](C)=O)CC1 ZINC001546540172 1072216495 /nfs/dbraw/zinc/21/64/95/1072216495.db2.gz HEBGHIJJXJFLHS-PBYQXAPXSA-N 1 0 438.642 0.983 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001546540173 1072217028 /nfs/dbraw/zinc/21/70/28/1072217028.db2.gz HEBGHIJJXJFLHS-VPTFNQTCSA-N 1 0 438.642 0.983 20 0 ICADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001546540174 1072216961 /nfs/dbraw/zinc/21/69/61/1072216961.db2.gz HEBGHIJJXJFLHS-YVGXBJCXSA-N 1 0 438.642 0.983 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)CCOC ZINC001546540309 1072217159 /nfs/dbraw/zinc/21/71/59/1072217159.db2.gz KREJGRBWOLZMRJ-DENIHFKCSA-N 1 0 438.617 0.859 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)CCOC ZINC001546540310 1072217106 /nfs/dbraw/zinc/21/71/06/1072217106.db2.gz KREJGRBWOLZMRJ-KNQAVFIVSA-N 1 0 438.617 0.859 20 0 ICADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)CCOC ZINC001546540311 1072217276 /nfs/dbraw/zinc/21/72/76/1072217276.db2.gz KREJGRBWOLZMRJ-SIKLNZKXSA-N 1 0 438.617 0.859 20 0 ICADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)CCOC ZINC001546540312 1072217193 /nfs/dbraw/zinc/21/71/93/1072217193.db2.gz KREJGRBWOLZMRJ-UGKGYDQZSA-N 1 0 438.617 0.859 20 0 ICADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC(=O)N1CCOCC1 ZINC001546541060 1072216979 /nfs/dbraw/zinc/21/69/79/1072216979.db2.gz ICVFGYHFDAWOTB-UHFFFAOYSA-N 1 0 448.490 0.790 20 0 ICADRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001546541222 1072217054 /nfs/dbraw/zinc/21/70/54/1072217054.db2.gz MLZZCGYURAAZDP-HDICACEKSA-N 1 0 443.600 0.988 20 0 ICADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001546541223 1072217305 /nfs/dbraw/zinc/21/73/05/1072217305.db2.gz MLZZCGYURAAZDP-QZTJIDSGSA-N 1 0 443.600 0.988 20 0 ICADRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001546541224 1072217268 /nfs/dbraw/zinc/21/72/68/1072217268.db2.gz MLZZCGYURAAZDP-ROUUACIJSA-N 1 0 443.600 0.988 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546541804 1072217138 /nfs/dbraw/zinc/21/71/38/1072217138.db2.gz FFBUNVRUJWVUTP-DLBZAZTESA-N 1 0 428.603 0.812 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546541805 1072217249 /nfs/dbraw/zinc/21/72/49/1072217249.db2.gz FFBUNVRUJWVUTP-IAGOWNOFSA-N 1 0 428.603 0.812 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001546541819 1072217008 /nfs/dbraw/zinc/21/70/08/1072217008.db2.gz FPCYQUQBEAEODQ-DLBZAZTESA-N 1 0 428.603 0.669 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001546541820 1072217225 /nfs/dbraw/zinc/21/72/25/1072217225.db2.gz FPCYQUQBEAEODQ-IAGOWNOFSA-N 1 0 428.603 0.669 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001546541821 1072216991 /nfs/dbraw/zinc/21/69/91/1072216991.db2.gz FPCYQUQBEAEODQ-IRXDYDNUSA-N 1 0 428.603 0.669 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001546541822 1072217084 /nfs/dbraw/zinc/21/70/84/1072217084.db2.gz FPCYQUQBEAEODQ-SJORKVTESA-N 1 0 428.603 0.669 20 0 ICADRO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCC[N@H+](C)C(C)C ZINC001546542668 1072217602 /nfs/dbraw/zinc/21/76/02/1072217602.db2.gz KAQNBQRNDSIBHQ-UHFFFAOYSA-N 1 0 433.561 0.037 20 0 ICADRO CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001546542736 1072217750 /nfs/dbraw/zinc/21/77/50/1072217750.db2.gz LNZRILDKUNSEAQ-KRWDZBQOSA-N 1 0 441.646 0.584 20 0 ICADRO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001546542847 1072217702 /nfs/dbraw/zinc/21/77/02/1072217702.db2.gz NUMHCLZISMWEBN-HNNXBMFYSA-N 1 0 433.561 0.037 20 0 ICADRO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001546542848 1072217658 /nfs/dbraw/zinc/21/76/58/1072217658.db2.gz NUMHCLZISMWEBN-OAHLLOKOSA-N 1 0 433.561 0.037 20 0 ICADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001546543144 1072218144 /nfs/dbraw/zinc/21/81/44/1072218144.db2.gz YTUOGTBBNIMVKV-KRWDZBQOSA-N 1 0 437.570 0.821 20 0 ICADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001546543145 1072218254 /nfs/dbraw/zinc/21/82/54/1072218254.db2.gz YTUOGTBBNIMVKV-QGZVFWFLSA-N 1 0 437.570 0.821 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001546545235 1072218760 /nfs/dbraw/zinc/21/87/60/1072218760.db2.gz YEGGTELMHAAIGL-GOSISDBHSA-N 1 0 425.537 0.488 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001546545236 1072218704 /nfs/dbraw/zinc/21/87/04/1072218704.db2.gz YEGGTELMHAAIGL-SFHVURJKSA-N 1 0 425.537 0.488 20 0 ICADRO CCc1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001546557622 1072219698 /nfs/dbraw/zinc/21/96/98/1072219698.db2.gz WNCDXQBEIPROOF-UHFFFAOYSA-N 1 0 433.582 0.683 20 0 ICADRO CCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001546560032 1072219755 /nfs/dbraw/zinc/21/97/55/1072219755.db2.gz LJDKBRWLNSRDNF-KSZLIROESA-N 1 0 431.585 0.840 20 0 ICADRO CCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001546560033 1072219589 /nfs/dbraw/zinc/21/95/89/1072219589.db2.gz LJDKBRWLNSRDNF-RCCFBDPRSA-N 1 0 431.585 0.840 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001546572878 1072221215 /nfs/dbraw/zinc/22/12/15/1072221215.db2.gz LYYHCYHMEPABLZ-GOSISDBHSA-N 1 0 448.616 0.405 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001546572879 1072221271 /nfs/dbraw/zinc/22/12/71/1072221271.db2.gz LYYHCYHMEPABLZ-SFHVURJKSA-N 1 0 448.616 0.405 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001546573194 1072221265 /nfs/dbraw/zinc/22/12/65/1072221265.db2.gz VCSDQJPSVPZNCV-DLBZAZTESA-N 1 0 435.573 0.368 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001546573195 1072221204 /nfs/dbraw/zinc/22/12/04/1072221204.db2.gz VCSDQJPSVPZNCV-IAGOWNOFSA-N 1 0 435.573 0.368 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001546573196 1072221145 /nfs/dbraw/zinc/22/11/45/1072221145.db2.gz VCSDQJPSVPZNCV-IRXDYDNUSA-N 1 0 435.573 0.368 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001546573197 1072221241 /nfs/dbraw/zinc/22/12/41/1072221241.db2.gz VCSDQJPSVPZNCV-SJORKVTESA-N 1 0 435.573 0.368 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001546573361 1072221742 /nfs/dbraw/zinc/22/17/42/1072221742.db2.gz ZDWAPRRRIOAOSS-INIZCTEOSA-N 1 0 433.557 0.340 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001546573362 1072221764 /nfs/dbraw/zinc/22/17/64/1072221764.db2.gz ZDWAPRRRIOAOSS-MRXNPFEDSA-N 1 0 433.557 0.340 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+](CC)CC ZINC001546573584 1072221720 /nfs/dbraw/zinc/22/17/20/1072221720.db2.gz DBVNGEPDWZWWAZ-ILXRZTDVSA-N 1 0 429.591 0.333 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+](CC)CC ZINC001546573585 1072221673 /nfs/dbraw/zinc/22/16/73/1072221673.db2.gz DBVNGEPDWZWWAZ-KFWWJZLASA-N 1 0 429.591 0.333 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+](CC)CC ZINC001546573586 1072221704 /nfs/dbraw/zinc/22/17/04/1072221704.db2.gz DBVNGEPDWZWWAZ-QLFBSQMISA-N 1 0 429.591 0.333 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+](CC)CC ZINC001546573587 1072221748 /nfs/dbraw/zinc/22/17/48/1072221748.db2.gz DBVNGEPDWZWWAZ-RBSFLKMASA-N 1 0 429.591 0.333 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+](CC)C1CC1 ZINC001546574116 1072222217 /nfs/dbraw/zinc/22/22/17/1072222217.db2.gz KGBVZPDPYYZWCH-DZGCQCFKSA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+](CC)C1CC1 ZINC001546574117 1072222100 /nfs/dbraw/zinc/22/21/00/1072222100.db2.gz KGBVZPDPYYZWCH-HIFRSBDPSA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+](CC)C1CC1 ZINC001546574118 1072222281 /nfs/dbraw/zinc/22/22/81/1072222281.db2.gz KGBVZPDPYYZWCH-UKRRQHHQSA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+](CC)C1CC1 ZINC001546574119 1072222129 /nfs/dbraw/zinc/22/21/29/1072222129.db2.gz KGBVZPDPYYZWCH-ZFWWWQNUSA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC[NH+](C)C ZINC001546574575 1072222171 /nfs/dbraw/zinc/22/21/71/1072222171.db2.gz NRWSDMKJPOHPKC-HNNXBMFYSA-N 1 0 430.513 0.218 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC[NH+](C)C ZINC001546574578 1072222186 /nfs/dbraw/zinc/22/21/86/1072222186.db2.gz NRWSDMKJPOHPKC-OAHLLOKOSA-N 1 0 430.513 0.218 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001546575209 1072223090 /nfs/dbraw/zinc/22/30/90/1072223090.db2.gz SUEPUFCZGDFHDK-ARFHVFGLSA-N 1 0 441.602 0.335 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCCC1 ZINC001546575210 1072223083 /nfs/dbraw/zinc/22/30/83/1072223083.db2.gz SUEPUFCZGDFHDK-BZUAXINKSA-N 1 0 441.602 0.335 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001546575212 1072223188 /nfs/dbraw/zinc/22/31/88/1072223188.db2.gz SUEPUFCZGDFHDK-HRCADAONSA-N 1 0 441.602 0.335 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCCC1 ZINC001546575214 1072223138 /nfs/dbraw/zinc/22/31/38/1072223138.db2.gz SUEPUFCZGDFHDK-OWCLPIDISA-N 1 0 441.602 0.335 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC1([NH+](C)C)CCOCC1 ZINC001546575848 1072223677 /nfs/dbraw/zinc/22/36/77/1072223677.db2.gz SLGPBHSQOUPVQA-DLBZAZTESA-N 1 0 438.573 0.828 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC1([NH+](C)C)CCOCC1 ZINC001546575854 1072223724 /nfs/dbraw/zinc/22/37/24/1072223724.db2.gz SLGPBHSQOUPVQA-IAGOWNOFSA-N 1 0 438.573 0.828 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC1([NH+](C)C)CCOCC1 ZINC001546575856 1072223696 /nfs/dbraw/zinc/22/36/96/1072223696.db2.gz SLGPBHSQOUPVQA-IRXDYDNUSA-N 1 0 438.573 0.828 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC1([NH+](C)C)CCOCC1 ZINC001546575858 1072223597 /nfs/dbraw/zinc/22/35/97/1072223597.db2.gz SLGPBHSQOUPVQA-SJORKVTESA-N 1 0 438.573 0.828 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001546580475 1072225213 /nfs/dbraw/zinc/22/52/13/1072225213.db2.gz KWCSPWMSEBHCKB-IBGZPJMESA-N 1 0 441.584 0.868 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001546580478 1072225141 /nfs/dbraw/zinc/22/51/41/1072225141.db2.gz KWCSPWMSEBHCKB-LJQANCHMSA-N 1 0 441.584 0.868 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001546580814 1072225312 /nfs/dbraw/zinc/22/53/12/1072225312.db2.gz OYOSBFHEUPJJRY-MSOLQXFVSA-N 1 0 430.557 0.630 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001546580815 1072225071 /nfs/dbraw/zinc/22/50/71/1072225071.db2.gz OYOSBFHEUPJJRY-QZTJIDSGSA-N 1 0 430.557 0.630 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001546580816 1072225917 /nfs/dbraw/zinc/22/59/17/1072225917.db2.gz OYOSBFHEUPJJRY-ROUUACIJSA-N 1 0 430.557 0.630 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001546580817 1072225771 /nfs/dbraw/zinc/22/57/71/1072225771.db2.gz OYOSBFHEUPJJRY-ZWKOTPCHSA-N 1 0 430.557 0.630 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[NH+]1CCN(CC)CC1 ZINC001546581010 1072225632 /nfs/dbraw/zinc/22/56/32/1072225632.db2.gz TYELXPTVMYGXLE-GOSISDBHSA-N 1 0 427.557 0.478 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[NH+]1CCN(CC)CC1 ZINC001546581011 1072225788 /nfs/dbraw/zinc/22/57/88/1072225788.db2.gz TYELXPTVMYGXLE-SFHVURJKSA-N 1 0 427.557 0.478 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001546581872 1072225887 /nfs/dbraw/zinc/22/58/87/1072225887.db2.gz JTXYRHFZQVFBNJ-MSOLQXFVSA-N 1 0 446.600 0.362 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001546581873 1072225750 /nfs/dbraw/zinc/22/57/50/1072225750.db2.gz JTXYRHFZQVFBNJ-QZTJIDSGSA-N 1 0 446.600 0.362 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001546581874 1072225704 /nfs/dbraw/zinc/22/57/04/1072225704.db2.gz JTXYRHFZQVFBNJ-ROUUACIJSA-N 1 0 446.600 0.362 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001546581875 1072226024 /nfs/dbraw/zinc/22/60/24/1072226024.db2.gz JTXYRHFZQVFBNJ-ZWKOTPCHSA-N 1 0 446.600 0.362 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001546582076 1072225977 /nfs/dbraw/zinc/22/59/77/1072225977.db2.gz NOZVLMHUQKIOQJ-MSOLQXFVSA-N 1 0 433.601 0.913 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001546582077 1072225672 /nfs/dbraw/zinc/22/56/72/1072225672.db2.gz NOZVLMHUQKIOQJ-QZTJIDSGSA-N 1 0 433.601 0.913 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001546582078 1072225808 /nfs/dbraw/zinc/22/58/08/1072225808.db2.gz NOZVLMHUQKIOQJ-ROUUACIJSA-N 1 0 433.601 0.913 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001546582079 1072225642 /nfs/dbraw/zinc/22/56/42/1072225642.db2.gz NOZVLMHUQKIOQJ-ZWKOTPCHSA-N 1 0 433.601 0.913 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001546582782 1072226253 /nfs/dbraw/zinc/22/62/53/1072226253.db2.gz FXTXKWHNZHAGRE-DOTOQJQBSA-N 1 0 438.598 0.769 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001546582785 1072226312 /nfs/dbraw/zinc/22/63/12/1072226312.db2.gz FXTXKWHNZHAGRE-NVXWUHKLSA-N 1 0 438.598 0.769 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001546582787 1072226515 /nfs/dbraw/zinc/22/65/15/1072226515.db2.gz FXTXKWHNZHAGRE-RDJZCZTQSA-N 1 0 438.598 0.769 20 0 ICADRO 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CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001546705983 1072231807 /nfs/dbraw/zinc/23/18/07/1072231807.db2.gz YISNXZFECVNZFQ-UTKZUKDTSA-N 1 0 436.557 0.213 20 0 ICADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001546705984 1072231859 /nfs/dbraw/zinc/23/18/59/1072231859.db2.gz YISNXZFECVNZFQ-UWJYYQICSA-N 1 0 436.557 0.213 20 0 ICADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001546706809 1072231833 /nfs/dbraw/zinc/23/18/33/1072231833.db2.gz MACIEIXMGORAMH-FGTMMUONSA-N 1 0 438.573 0.503 20 0 ICADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001546706810 1072231782 /nfs/dbraw/zinc/23/17/82/1072231782.db2.gz MACIEIXMGORAMH-OKZBNKHCSA-N 1 0 438.573 0.503 20 0 ICADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NC)CC[N@@H+]1CCOC ZINC001546708739 1072232501 /nfs/dbraw/zinc/23/25/01/1072232501.db2.gz WILIWONNOJANNO-INIZCTEOSA-N 1 0 437.589 0.736 20 0 ICADRO 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CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001546740205 1072234121 /nfs/dbraw/zinc/23/41/21/1072234121.db2.gz XNJAALVIHPDNLS-QUCCMNQESA-N 1 0 446.600 0.804 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001546740206 1072233993 /nfs/dbraw/zinc/23/39/93/1072233993.db2.gz XNJAALVIHPDNLS-UYAOXDASSA-N 1 0 446.600 0.804 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@@H]2C)CC[N@@H+]1CCOC ZINC001546741874 1072234786 /nfs/dbraw/zinc/23/47/86/1072234786.db2.gz YRNOYRXZOXUFFU-CBGDNZLLSA-N 1 0 431.541 0.822 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@H]2C)CC[N@@H+]1CCOC ZINC001546741876 1072234875 /nfs/dbraw/zinc/23/48/75/1072234875.db2.gz YRNOYRXZOXUFFU-CSODHUTKSA-N 1 0 431.541 0.822 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@H]2C)CC[N@@H+]1CCOC ZINC001546741878 1072234924 /nfs/dbraw/zinc/23/49/24/1072234924.db2.gz YRNOYRXZOXUFFU-FVJLSDCUSA-N 1 0 431.541 0.822 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC[N@@H+]1CCOC ZINC001546741880 1072234675 /nfs/dbraw/zinc/23/46/75/1072234675.db2.gz YRNOYRXZOXUFFU-LZJOCLMNSA-N 1 0 431.541 0.822 20 0 ICADRO CC[C@H]1CN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC[N@@H+]1CCOC ZINC001546742465 1072234647 /nfs/dbraw/zinc/23/46/47/1072234647.db2.gz KLXJPKDYVHKJBC-KRWDZBQOSA-N 1 0 441.598 0.642 20 0 ICADRO CC[C@@H]1CN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC[N@@H+]1CCOC ZINC001546742466 1072234749 /nfs/dbraw/zinc/23/47/49/1072234749.db2.gz KLXJPKDYVHKJBC-QGZVFWFLSA-N 1 0 441.598 0.642 20 0 ICADRO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001546744491 1072235373 /nfs/dbraw/zinc/23/53/73/1072235373.db2.gz RFMWDYGSGPRLHO-FJIDUMEYSA-N 1 0 436.557 0.316 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001546744492 1072235276 /nfs/dbraw/zinc/23/52/76/1072235276.db2.gz RFMWDYGSGPRLHO-WNRNVDISSA-N 1 0 436.557 0.316 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001546744493 1072235468 /nfs/dbraw/zinc/23/54/68/1072235468.db2.gz RFMWDYGSGPRLHO-XDNAFOTISA-N 1 0 436.557 0.316 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001546744494 1072235434 /nfs/dbraw/zinc/23/54/34/1072235434.db2.gz RFMWDYGSGPRLHO-XMTFNYHQSA-N 1 0 436.557 0.316 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546748163 1072235928 /nfs/dbraw/zinc/23/59/28/1072235928.db2.gz VKMACXIZYBXIAR-DLBZAZTESA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546748164 1072236002 /nfs/dbraw/zinc/23/60/02/1072236002.db2.gz VKMACXIZYBXIAR-IAGOWNOFSA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546748165 1072236076 /nfs/dbraw/zinc/23/60/76/1072236076.db2.gz VKMACXIZYBXIAR-IRXDYDNUSA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546748166 1072236019 /nfs/dbraw/zinc/23/60/19/1072236019.db2.gz VKMACXIZYBXIAR-SJORKVTESA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546754194 1072237517 /nfs/dbraw/zinc/23/75/17/1072237517.db2.gz RPXZQCHZFTUIIU-INIZCTEOSA-N 1 0 430.619 0.963 20 0 ICADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546754197 1072237584 /nfs/dbraw/zinc/23/75/84/1072237584.db2.gz RPXZQCHZFTUIIU-MRXNPFEDSA-N 1 0 430.619 0.963 20 0 ICADRO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ncn(C)n2)CC[N@@H+]1CCOC ZINC001546759317 1072238101 /nfs/dbraw/zinc/23/81/01/1072238101.db2.gz JAMANXOKHWNVJB-GOSISDBHSA-N 1 0 425.541 0.988 20 0 ICADRO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ncn(C)n2)CC[N@@H+]1CCOC ZINC001546759318 1072237879 /nfs/dbraw/zinc/23/78/79/1072237879.db2.gz JAMANXOKHWNVJB-SFHVURJKSA-N 1 0 425.541 0.988 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC)CC[N@@H+]1CCOC ZINC001546775643 1072238988 /nfs/dbraw/zinc/23/89/88/1072238988.db2.gz JAZYFQUAIPOGNG-HZPDHXFCSA-N 1 0 430.575 0.226 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC)CC[N@@H+]1CCOC ZINC001546775644 1072239025 /nfs/dbraw/zinc/23/90/25/1072239025.db2.gz JAZYFQUAIPOGNG-JKSUJKDBSA-N 1 0 430.575 0.226 20 0 ICADRO CCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001546830101 1072242379 /nfs/dbraw/zinc/24/23/79/1072242379.db2.gz KUOLHINOSXUAKY-JOCHJYFZSA-N 1 0 449.600 0.712 20 0 ICADRO CCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001546830102 1072242311 /nfs/dbraw/zinc/24/23/11/1072242311.db2.gz KUOLHINOSXUAKY-QFIPXVFZSA-N 1 0 449.600 0.712 20 0 ICADRO CCC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001546911935 1072246553 /nfs/dbraw/zinc/24/65/53/1072246553.db2.gz KUEDIFHREQADNS-MSOLQXFVSA-N 1 0 447.584 0.789 20 0 ICADRO CCC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001546911936 1072246520 /nfs/dbraw/zinc/24/65/20/1072246520.db2.gz KUEDIFHREQADNS-QZTJIDSGSA-N 1 0 447.584 0.789 20 0 ICADRO CCC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001546911937 1072246621 /nfs/dbraw/zinc/24/66/21/1072246621.db2.gz KUEDIFHREQADNS-ROUUACIJSA-N 1 0 447.584 0.789 20 0 ICADRO CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001546911938 1072246557 /nfs/dbraw/zinc/24/65/57/1072246557.db2.gz KUEDIFHREQADNS-ZWKOTPCHSA-N 1 0 447.584 0.789 20 0 ICADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)CC[N@@H+]1CCOC ZINC001546943020 1072248197 /nfs/dbraw/zinc/24/81/97/1072248197.db2.gz VVQFKAXCQOHCIX-KRWDZBQOSA-N 1 0 445.572 0.628 20 0 ICADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)CC[N@@H+]1CCOC ZINC001546943021 1072248072 /nfs/dbraw/zinc/24/80/72/1072248072.db2.gz VVQFKAXCQOHCIX-QGZVFWFLSA-N 1 0 445.572 0.628 20 0 ICADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(C)n2)CC[N@@H+]1CCOC ZINC001546943108 1072248118 /nfs/dbraw/zinc/24/81/18/1072248118.db2.gz XPBUBDXOTMVTTC-INIZCTEOSA-N 1 0 433.561 0.530 20 0 ICADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(C)n2)CC[N@@H+]1CCOC ZINC001546943109 1072248012 /nfs/dbraw/zinc/24/80/12/1072248012.db2.gz XPBUBDXOTMVTTC-MRXNPFEDSA-N 1 0 433.561 0.530 20 0 ICADRO CCC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001546944142 1072247979 /nfs/dbraw/zinc/24/79/79/1072247979.db2.gz HPFLUHJYXDMWDL-CVEARBPZSA-N 1 0 446.643 0.942 20 0 ICADRO CCC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001546944143 1072248154 /nfs/dbraw/zinc/24/81/54/1072248154.db2.gz HPFLUHJYXDMWDL-HOTGVXAUSA-N 1 0 446.643 0.942 20 0 ICADRO CCC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001546944144 1072248134 /nfs/dbraw/zinc/24/81/34/1072248134.db2.gz HPFLUHJYXDMWDL-HZPDHXFCSA-N 1 0 446.643 0.942 20 0 ICADRO CCC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CCO1 ZINC001546944145 1072247996 /nfs/dbraw/zinc/24/79/96/1072247996.db2.gz HPFLUHJYXDMWDL-JKSUJKDBSA-N 1 0 446.643 0.942 20 0 ICADRO CCC[C@H]1CN(c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)CC[N@@H+]1CCOC ZINC001546946166 1072248639 /nfs/dbraw/zinc/24/86/39/1072248639.db2.gz WGAGJHPNSMAKJR-KRWDZBQOSA-N 1 0 429.587 0.463 20 0 ICADRO CCC[C@@H]1CN(c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)CC[N@@H+]1CCOC ZINC001546946167 1072248732 /nfs/dbraw/zinc/24/87/32/1072248732.db2.gz WGAGJHPNSMAKJR-QGZVFWFLSA-N 1 0 429.587 0.463 20 0 ICADRO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC001546953234 1072248677 /nfs/dbraw/zinc/24/86/77/1072248677.db2.gz LVXJLFPJARWPJW-DLBZAZTESA-N 1 0 435.573 0.645 20 0 ICADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC001546953235 1072249298 /nfs/dbraw/zinc/24/92/98/1072249298.db2.gz LVXJLFPJARWPJW-IAGOWNOFSA-N 1 0 435.573 0.645 20 0 ICADRO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC001546953236 1072249361 /nfs/dbraw/zinc/24/93/61/1072249361.db2.gz LVXJLFPJARWPJW-IRXDYDNUSA-N 1 0 435.573 0.645 20 0 ICADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC001546953237 1072249250 /nfs/dbraw/zinc/24/92/50/1072249250.db2.gz LVXJLFPJARWPJW-SJORKVTESA-N 1 0 435.573 0.645 20 0 ICADRO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CCO1 ZINC001546955841 1072249334 /nfs/dbraw/zinc/24/93/34/1072249334.db2.gz BVXVDZNBZZZDDT-DLBZAZTESA-N 1 0 429.587 0.764 20 0 ICADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CCO1 ZINC001546955842 1072249379 /nfs/dbraw/zinc/24/93/79/1072249379.db2.gz BVXVDZNBZZZDDT-IAGOWNOFSA-N 1 0 429.587 0.764 20 0 ICADRO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CCO1 ZINC001546955843 1072249243 /nfs/dbraw/zinc/24/92/43/1072249243.db2.gz BVXVDZNBZZZDDT-IRXDYDNUSA-N 1 0 429.587 0.764 20 0 ICADRO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CCO1 ZINC001546955844 1072249264 /nfs/dbraw/zinc/24/92/64/1072249264.db2.gz BVXVDZNBZZZDDT-SJORKVTESA-N 1 0 429.587 0.764 20 0 ICADRO CCC[C@H]1CN(c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)CC[N@@H+]1CCOC ZINC001546958411 1072249166 /nfs/dbraw/zinc/24/91/66/1072249166.db2.gz XPCPIPJZURQUQR-KRWDZBQOSA-N 1 0 443.614 0.717 20 0 ICADRO CCC[C@@H]1CN(c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)CC[N@@H+]1CCOC ZINC001546958412 1072249702 /nfs/dbraw/zinc/24/97/02/1072249702.db2.gz XPCPIPJZURQUQR-QGZVFWFLSA-N 1 0 443.614 0.717 20 0 ICADRO CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001547001982 1072250762 /nfs/dbraw/zinc/25/07/62/1072250762.db2.gz NMWVWRCNKXSDRE-UHFFFAOYSA-N 1 0 448.572 0.669 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001547003128 1072251219 /nfs/dbraw/zinc/25/12/19/1072251219.db2.gz RPFLDRJLSHKKHW-CABCVRRESA-N 1 0 443.574 0.261 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001547003130 1072251393 /nfs/dbraw/zinc/25/13/93/1072251393.db2.gz RPFLDRJLSHKKHW-GJZGRUSLSA-N 1 0 443.574 0.261 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001547003132 1072251297 /nfs/dbraw/zinc/25/12/97/1072251297.db2.gz RPFLDRJLSHKKHW-HUUCEWRRSA-N 1 0 443.574 0.261 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001547003134 1072251448 /nfs/dbraw/zinc/25/14/48/1072251448.db2.gz RPFLDRJLSHKKHW-LSDHHAIUSA-N 1 0 443.574 0.261 20 0 ICADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547004488 1072251177 /nfs/dbraw/zinc/25/11/77/1072251177.db2.gz FLKSEFIZDMWRNB-UHFFFAOYSA-N 1 0 436.586 0.985 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006213 1072251279 /nfs/dbraw/zinc/25/12/79/1072251279.db2.gz GXFSFZUHRZYWRP-HOTGVXAUSA-N 1 0 441.602 0.431 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006214 1072251310 /nfs/dbraw/zinc/25/13/10/1072251310.db2.gz GXFSFZUHRZYWRP-JKSUJKDBSA-N 1 0 441.602 0.431 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006365 1072251432 /nfs/dbraw/zinc/25/14/32/1072251432.db2.gz ODQAURWUSYAYGK-DLBZAZTESA-N 1 0 428.603 0.984 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006366 1072251413 /nfs/dbraw/zinc/25/14/13/1072251413.db2.gz ODQAURWUSYAYGK-IRXDYDNUSA-N 1 0 428.603 0.984 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547007100 1072251193 /nfs/dbraw/zinc/25/11/93/1072251193.db2.gz QUBKAGNXYVDUJJ-INIZCTEOSA-N 1 0 441.602 0.479 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547007101 1072251422 /nfs/dbraw/zinc/25/14/22/1072251422.db2.gz QUBKAGNXYVDUJJ-MRXNPFEDSA-N 1 0 441.602 0.479 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547007186 1072251353 /nfs/dbraw/zinc/25/13/53/1072251353.db2.gz XONXDLGDYHRPRJ-JXFKEZNVSA-N 1 0 438.598 0.771 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547007187 1072251236 /nfs/dbraw/zinc/25/12/36/1072251236.db2.gz XONXDLGDYHRPRJ-OXJNMPFZSA-N 1 0 438.598 0.771 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547007188 1072251451 /nfs/dbraw/zinc/25/14/51/1072251451.db2.gz XONXDLGDYHRPRJ-OXQOHEQNSA-N 1 0 438.598 0.771 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547007189 1072251257 /nfs/dbraw/zinc/25/12/57/1072251257.db2.gz XONXDLGDYHRPRJ-UZLBHIALSA-N 1 0 438.598 0.771 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001547007329 1072251372 /nfs/dbraw/zinc/25/13/72/1072251372.db2.gz UQUPGJWUBQNAAT-CVEARBPZSA-N 1 0 426.587 0.975 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001547007330 1072251402 /nfs/dbraw/zinc/25/14/02/1072251402.db2.gz UQUPGJWUBQNAAT-HOTGVXAUSA-N 1 0 426.587 0.975 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001547007331 1072251203 /nfs/dbraw/zinc/25/12/03/1072251203.db2.gz UQUPGJWUBQNAAT-HZPDHXFCSA-N 1 0 426.587 0.975 20 0 ICADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001547007332 1072251329 /nfs/dbraw/zinc/25/13/29/1072251329.db2.gz UQUPGJWUBQNAAT-JKSUJKDBSA-N 1 0 426.587 0.975 20 0 ICADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001547008974 1072251822 /nfs/dbraw/zinc/25/18/22/1072251822.db2.gz RQAGUYXEKFSDBC-GOSISDBHSA-N 1 0 432.573 0.823 20 0 ICADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001547008977 1072251903 /nfs/dbraw/zinc/25/19/03/1072251903.db2.gz RQAGUYXEKFSDBC-SFHVURJKSA-N 1 0 432.573 0.823 20 0 ICADRO CCCC[N@H+](C)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547009100 1072251796 /nfs/dbraw/zinc/25/17/96/1072251796.db2.gz VCVPTRPYBLDJHY-DYESRHJHSA-N 1 0 435.573 0.876 20 0 ICADRO CCCC[N@H+](C)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547009101 1072251930 /nfs/dbraw/zinc/25/19/30/1072251930.db2.gz VCVPTRPYBLDJHY-LAUBAEHRSA-N 1 0 435.573 0.876 20 0 ICADRO CCCC[N@H+](C)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547009102 1072251970 /nfs/dbraw/zinc/25/19/70/1072251970.db2.gz VCVPTRPYBLDJHY-UTKZUKDTSA-N 1 0 435.573 0.876 20 0 ICADRO CCCC[N@H+](C)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547009103 1072251888 /nfs/dbraw/zinc/25/18/88/1072251888.db2.gz VCVPTRPYBLDJHY-UWJYYQICSA-N 1 0 435.573 0.876 20 0 ICADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001547053295 1072252395 /nfs/dbraw/zinc/25/23/95/1072252395.db2.gz RSZJUGVXUDIADQ-HTAPYJJXSA-N 1 0 449.600 0.616 20 0 ICADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001547053296 1072252438 /nfs/dbraw/zinc/25/24/38/1072252438.db2.gz RSZJUGVXUDIADQ-JTSKRJEESA-N 1 0 449.600 0.616 20 0 ICADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001547053297 1072252339 /nfs/dbraw/zinc/25/23/39/1072252339.db2.gz RSZJUGVXUDIADQ-VGOFRKELSA-N 1 0 449.600 0.616 20 0 ICADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001547053298 1072252380 /nfs/dbraw/zinc/25/23/80/1072252380.db2.gz RSZJUGVXUDIADQ-VGSWGCGISA-N 1 0 449.600 0.616 20 0 ICADRO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547062220 1072252910 /nfs/dbraw/zinc/25/29/10/1072252910.db2.gz QRCOPXUXIHMWNX-JOCHJYFZSA-N 1 0 442.568 0.934 20 0 ICADRO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547062222 1072252929 /nfs/dbraw/zinc/25/29/29/1072252929.db2.gz QRCOPXUXIHMWNX-QFIPXVFZSA-N 1 0 442.568 0.934 20 0 ICADRO CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001547090953 1072253834 /nfs/dbraw/zinc/25/38/34/1072253834.db2.gz DJDBNVQRDFBHRJ-KRWDZBQOSA-N 1 0 444.602 0.304 20 0 ICADRO CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001547090954 1072253813 /nfs/dbraw/zinc/25/38/13/1072253813.db2.gz DJDBNVQRDFBHRJ-QGZVFWFLSA-N 1 0 444.602 0.304 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096687 1072254469 /nfs/dbraw/zinc/25/44/69/1072254469.db2.gz NYOJQMPVYMFQQR-CVEARBPZSA-N 1 0 428.603 0.971 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096688 1072254361 /nfs/dbraw/zinc/25/43/61/1072254361.db2.gz NYOJQMPVYMFQQR-HOTGVXAUSA-N 1 0 428.603 0.971 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096689 1072254392 /nfs/dbraw/zinc/25/43/92/1072254392.db2.gz NYOJQMPVYMFQQR-HZPDHXFCSA-N 1 0 428.603 0.971 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096690 1072254402 /nfs/dbraw/zinc/25/44/02/1072254402.db2.gz NYOJQMPVYMFQQR-JKSUJKDBSA-N 1 0 428.603 0.971 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001547100273 1072254383 /nfs/dbraw/zinc/25/43/83/1072254383.db2.gz HBDOJNVARPTUCZ-BBWFWOEESA-N 1 0 438.598 0.832 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001547100275 1072254459 /nfs/dbraw/zinc/25/44/59/1072254459.db2.gz HBDOJNVARPTUCZ-GVDBMIGSSA-N 1 0 438.598 0.832 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001547100277 1072254303 /nfs/dbraw/zinc/25/43/03/1072254303.db2.gz HBDOJNVARPTUCZ-ULQDDVLXSA-N 1 0 438.598 0.832 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001547100280 1072254335 /nfs/dbraw/zinc/25/43/35/1072254335.db2.gz HBDOJNVARPTUCZ-YESZJQIVSA-N 1 0 438.598 0.832 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100606 1072254373 /nfs/dbraw/zinc/25/43/73/1072254373.db2.gz FAFVJXCQCOTVHH-MSOLQXFVSA-N 1 0 440.614 0.986 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100607 1072254438 /nfs/dbraw/zinc/25/44/38/1072254438.db2.gz FAFVJXCQCOTVHH-QZTJIDSGSA-N 1 0 440.614 0.986 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100608 1072254324 /nfs/dbraw/zinc/25/43/24/1072254324.db2.gz FAFVJXCQCOTVHH-ROUUACIJSA-N 1 0 440.614 0.986 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100609 1072254418 /nfs/dbraw/zinc/25/44/18/1072254418.db2.gz FAFVJXCQCOTVHH-ZWKOTPCHSA-N 1 0 440.614 0.986 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101186 1072254449 /nfs/dbraw/zinc/25/44/49/1072254449.db2.gz OCOCIZFECQEKEG-DLBZAZTESA-N 1 0 447.584 0.679 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101187 1072254368 /nfs/dbraw/zinc/25/43/68/1072254368.db2.gz OCOCIZFECQEKEG-IAGOWNOFSA-N 1 0 447.584 0.679 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101188 1072254427 /nfs/dbraw/zinc/25/44/27/1072254427.db2.gz OCOCIZFECQEKEG-IRXDYDNUSA-N 1 0 447.584 0.679 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101189 1072254317 /nfs/dbraw/zinc/25/43/17/1072254317.db2.gz OCOCIZFECQEKEG-SJORKVTESA-N 1 0 447.584 0.679 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101292 1072254411 /nfs/dbraw/zinc/25/44/11/1072254411.db2.gz KWISHDQKNWJRCB-FGTMMUONSA-N 1 0 441.598 0.764 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101293 1072254345 /nfs/dbraw/zinc/25/43/45/1072254345.db2.gz KWISHDQKNWJRCB-KZNAEPCWSA-N 1 0 441.598 0.764 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101294 1072254355 /nfs/dbraw/zinc/25/43/55/1072254355.db2.gz KWISHDQKNWJRCB-OKZBNKHCSA-N 1 0 441.598 0.764 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101295 1072254911 /nfs/dbraw/zinc/25/49/11/1072254911.db2.gz KWISHDQKNWJRCB-RCCFBDPRSA-N 1 0 441.598 0.764 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 ZINC001547101350 1072254932 /nfs/dbraw/zinc/25/49/32/1072254932.db2.gz LNEBJFNIVNYLAE-ABSDTBQOSA-N 1 0 441.598 0.500 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001547101351 1072254713 /nfs/dbraw/zinc/25/47/13/1072254713.db2.gz LNEBJFNIVNYLAE-QKLQHJQFSA-N 1 0 441.598 0.500 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 ZINC001547101352 1072254851 /nfs/dbraw/zinc/25/48/51/1072254851.db2.gz LNEBJFNIVNYLAE-SQGPQFPESA-N 1 0 441.598 0.500 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001547101353 1072254958 /nfs/dbraw/zinc/25/49/58/1072254958.db2.gz LNEBJFNIVNYLAE-ZWOKBUDYSA-N 1 0 441.598 0.500 20 0 ICADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)C1 ZINC001547104883 1072254793 /nfs/dbraw/zinc/25/47/93/1072254793.db2.gz YIAKTUXYMALEPT-GOSISDBHSA-N 1 0 447.584 0.427 20 0 ICADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)C1 ZINC001547104884 1072254769 /nfs/dbraw/zinc/25/47/69/1072254769.db2.gz YIAKTUXYMALEPT-SFHVURJKSA-N 1 0 447.584 0.427 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001547116410 1072254951 /nfs/dbraw/zinc/25/49/51/1072254951.db2.gz ZCPADYRBDVGAGI-CVEARBPZSA-N 1 0 443.618 0.677 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001547116411 1072254879 /nfs/dbraw/zinc/25/48/79/1072254879.db2.gz ZCPADYRBDVGAGI-HOTGVXAUSA-N 1 0 443.618 0.677 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001547116412 1072254808 /nfs/dbraw/zinc/25/48/08/1072254808.db2.gz ZCPADYRBDVGAGI-HZPDHXFCSA-N 1 0 443.618 0.677 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001547116413 1072254924 /nfs/dbraw/zinc/25/49/24/1072254924.db2.gz ZCPADYRBDVGAGI-JKSUJKDBSA-N 1 0 443.618 0.677 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547118684 1072254822 /nfs/dbraw/zinc/25/48/22/1072254822.db2.gz MJWJBJSPYZQUGN-UHFFFAOYSA-N 1 0 438.602 0.929 20 0 ICADRO CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547118820 1072254733 /nfs/dbraw/zinc/25/47/33/1072254733.db2.gz OIDKTQXKHIDQBX-INIZCTEOSA-N 1 0 436.586 0.937 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547120670 1072254892 /nfs/dbraw/zinc/25/48/92/1072254892.db2.gz ZNDRSUHZYVJBGN-INIZCTEOSA-N 1 0 426.587 0.975 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547120671 1072255360 /nfs/dbraw/zinc/25/53/60/1072255360.db2.gz ZNDRSUHZYVJBGN-MRXNPFEDSA-N 1 0 426.587 0.975 20 0 ICADRO CCC[N@H+](CC)CCn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001547121353 1072255482 /nfs/dbraw/zinc/25/54/82/1072255482.db2.gz QMZWZNJQLUZUHY-UHFFFAOYSA-N 1 0 433.561 0.039 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547121526 1072255511 /nfs/dbraw/zinc/25/55/11/1072255511.db2.gz VFVAKUSHOVQMHG-JXFKEZNVSA-N 1 0 438.598 0.771 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547121527 1072255416 /nfs/dbraw/zinc/25/54/16/1072255416.db2.gz VFVAKUSHOVQMHG-OXJNMPFZSA-N 1 0 438.598 0.771 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547121528 1072255462 /nfs/dbraw/zinc/25/54/62/1072255462.db2.gz VFVAKUSHOVQMHG-OXQOHEQNSA-N 1 0 438.598 0.771 20 0 ICADRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547121529 1072255335 /nfs/dbraw/zinc/25/53/35/1072255335.db2.gz VFVAKUSHOVQMHG-UZLBHIALSA-N 1 0 438.598 0.771 20 0 ICADRO CCC[N@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547121977 1072255434 /nfs/dbraw/zinc/25/54/34/1072255434.db2.gz KCGAQOAHXGNZJB-GOSISDBHSA-N 1 0 440.552 0.143 20 0 ICADRO CCC[N@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547121978 1072255454 /nfs/dbraw/zinc/25/54/54/1072255454.db2.gz KCGAQOAHXGNZJB-SFHVURJKSA-N 1 0 440.552 0.143 20 0 ICADRO CCC[N@H+](CC)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547123301 1072255519 /nfs/dbraw/zinc/25/55/19/1072255519.db2.gz YTBVVOLMBGNWSV-DYESRHJHSA-N 1 0 435.573 0.876 20 0 ICADRO CCC[N@H+](CC)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547123302 1072255497 /nfs/dbraw/zinc/25/54/97/1072255497.db2.gz YTBVVOLMBGNWSV-LAUBAEHRSA-N 1 0 435.573 0.876 20 0 ICADRO CCC[N@H+](CC)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547123303 1072255320 /nfs/dbraw/zinc/25/53/20/1072255320.db2.gz YTBVVOLMBGNWSV-UTKZUKDTSA-N 1 0 435.573 0.876 20 0 ICADRO CCC[N@H+](CC)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547123304 1072255391 /nfs/dbraw/zinc/25/53/91/1072255391.db2.gz YTBVVOLMBGNWSV-UWJYYQICSA-N 1 0 435.573 0.876 20 0 ICADRO CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001547146833 1072143330 /nfs/dbraw/zinc/14/33/30/1072143330.db2.gz HTTCGFMBUMBXRM-INIZCTEOSA-N 1 0 443.618 0.679 20 0 ICADRO CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001547147249 1072150982 /nfs/dbraw/zinc/15/09/82/1072150982.db2.gz SAQBRGMHQKKANY-CABCVRRESA-N 1 0 427.575 0.041 20 0 ICADRO CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001547147250 1072150957 /nfs/dbraw/zinc/15/09/57/1072150957.db2.gz SAQBRGMHQKKANY-GJZGRUSLSA-N 1 0 427.575 0.041 20 0 ICADRO CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001547147251 1072150897 /nfs/dbraw/zinc/15/08/97/1072150897.db2.gz SAQBRGMHQKKANY-HUUCEWRRSA-N 1 0 427.575 0.041 20 0 ICADRO 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CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001547314840 1072277889 /nfs/dbraw/zinc/27/78/89/1072277889.db2.gz GFTVJVIVQALDIC-UHFFFAOYSA-N 1 0 442.568 0.506 20 0 ICADRO CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001547315203 1072277770 /nfs/dbraw/zinc/27/77/70/1072277770.db2.gz MUDNFZZCQDFSMY-QGZVFWFLSA-N 1 0 430.557 0.706 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001547317764 1072279735 /nfs/dbraw/zinc/27/97/35/1072279735.db2.gz BMOAWTAIBJDCIJ-DLBZAZTESA-N 1 0 438.598 0.723 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001547317765 1072279884 /nfs/dbraw/zinc/27/98/84/1072279884.db2.gz BMOAWTAIBJDCIJ-IAGOWNOFSA-N 1 0 438.598 0.723 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001547317766 1072279824 /nfs/dbraw/zinc/27/98/24/1072279824.db2.gz BMOAWTAIBJDCIJ-IRXDYDNUSA-N 1 0 438.598 0.723 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001547317767 1072279664 /nfs/dbraw/zinc/27/96/64/1072279664.db2.gz BMOAWTAIBJDCIJ-SJORKVTESA-N 1 0 438.598 0.723 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001547317817 1072280173 /nfs/dbraw/zinc/28/01/73/1072280173.db2.gz CODFZKCVAMQAOD-MSOLQXFVSA-N 1 0 447.584 0.393 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001547317818 1072280383 /nfs/dbraw/zinc/28/03/83/1072280383.db2.gz CODFZKCVAMQAOD-QZTJIDSGSA-N 1 0 447.584 0.393 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001547317819 1072280214 /nfs/dbraw/zinc/28/02/14/1072280214.db2.gz CODFZKCVAMQAOD-ROUUACIJSA-N 1 0 447.584 0.393 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001547317820 1072280348 /nfs/dbraw/zinc/28/03/48/1072280348.db2.gz CODFZKCVAMQAOD-ZWKOTPCHSA-N 1 0 447.584 0.393 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001547318927 1072281487 /nfs/dbraw/zinc/28/14/87/1072281487.db2.gz PNKLECCOHWLTGQ-GOSISDBHSA-N 1 0 447.584 0.742 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001547318932 1072281330 /nfs/dbraw/zinc/28/13/30/1072281330.db2.gz PNKLECCOHWLTGQ-SFHVURJKSA-N 1 0 447.584 0.742 20 0 ICADRO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001547331429 1072283688 /nfs/dbraw/zinc/28/36/88/1072283688.db2.gz DRBJDYIZTYWCDT-INIZCTEOSA-N 1 0 444.602 0.302 20 0 ICADRO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001547331430 1072283709 /nfs/dbraw/zinc/28/37/09/1072283709.db2.gz DRBJDYIZTYWCDT-MRXNPFEDSA-N 1 0 444.602 0.302 20 0 ICADRO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001547331556 1072283734 /nfs/dbraw/zinc/28/37/34/1072283734.db2.gz HSEIJLLMCCWOTB-INIZCTEOSA-N 1 0 443.618 0.093 20 0 ICADRO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001547331558 1072283756 /nfs/dbraw/zinc/28/37/56/1072283756.db2.gz HSEIJLLMCCWOTB-MRXNPFEDSA-N 1 0 443.618 0.093 20 0 ICADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)c1 ZINC001547336944 1072284179 /nfs/dbraw/zinc/28/41/79/1072284179.db2.gz IXYDVUACCSMIPR-HNNXBMFYSA-N 1 0 449.581 0.325 20 0 ICADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)c1 ZINC001547336945 1072284127 /nfs/dbraw/zinc/28/41/27/1072284127.db2.gz IXYDVUACCSMIPR-OAHLLOKOSA-N 1 0 449.581 0.325 20 0 ICADRO CCN(c1nnc(C(=O)NC(C)C)n1CCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001547339350 1072284085 /nfs/dbraw/zinc/28/40/85/1072284085.db2.gz GPRVBGMYEDVYIR-INIZCTEOSA-N 1 0 426.587 0.916 20 0 ICADRO CCN(c1nnc(C(=O)NC(C)C)n1CCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001547339351 1072284211 /nfs/dbraw/zinc/28/42/11/1072284211.db2.gz GPRVBGMYEDVYIR-MRXNPFEDSA-N 1 0 426.587 0.916 20 0 ICADRO CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001547363153 1072286177 /nfs/dbraw/zinc/28/61/77/1072286177.db2.gz IPQFUXFRBGDIAI-JXFKEZNVSA-N 1 0 434.566 0.729 20 0 ICADRO CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001547363154 1072286223 /nfs/dbraw/zinc/28/62/23/1072286223.db2.gz IPQFUXFRBGDIAI-OXJNMPFZSA-N 1 0 434.566 0.729 20 0 ICADRO CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001547363155 1072286038 /nfs/dbraw/zinc/28/60/38/1072286038.db2.gz IPQFUXFRBGDIAI-OXQOHEQNSA-N 1 0 434.566 0.729 20 0 ICADRO CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001547363156 1072286641 /nfs/dbraw/zinc/28/66/41/1072286641.db2.gz IPQFUXFRBGDIAI-UZLBHIALSA-N 1 0 434.566 0.729 20 0 ICADRO CCN(C1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001547392986 1072290499 /nfs/dbraw/zinc/29/04/99/1072290499.db2.gz XEQRSDFYZPEWIM-FQEVSTJZSA-N 1 0 440.614 0.863 20 0 ICADRO CCN(C1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001547392987 1072290338 /nfs/dbraw/zinc/29/03/38/1072290338.db2.gz XEQRSDFYZPEWIM-HXUWFJFHSA-N 1 0 440.614 0.863 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001547414588 1072292647 /nfs/dbraw/zinc/29/26/47/1072292647.db2.gz HJWDWSVCKFFLJD-FQEVSTJZSA-N 1 0 435.617 0.934 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001547414589 1072292433 /nfs/dbraw/zinc/29/24/33/1072292433.db2.gz HJWDWSVCKFFLJD-HXUWFJFHSA-N 1 0 435.617 0.934 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001547415619 1072292391 /nfs/dbraw/zinc/29/23/91/1072292391.db2.gz YJQDUEQBLYTHMU-UHFFFAOYSA-N 1 0 434.633 0.603 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547416375 1072292979 /nfs/dbraw/zinc/29/29/79/1072292979.db2.gz PWEKRMCBNKGDQT-JOCHJYFZSA-N 1 0 444.584 0.330 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547416376 1072293072 /nfs/dbraw/zinc/29/30/72/1072293072.db2.gz PWEKRMCBNKGDQT-QFIPXVFZSA-N 1 0 444.584 0.330 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547418908 1072293993 /nfs/dbraw/zinc/29/39/93/1072293993.db2.gz KIPUOCAZRUJGEC-JOCHJYFZSA-N 1 0 442.568 0.991 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547418912 1072294020 /nfs/dbraw/zinc/29/40/20/1072294020.db2.gz KIPUOCAZRUJGEC-QFIPXVFZSA-N 1 0 442.568 0.991 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547420012 1072294481 /nfs/dbraw/zinc/29/44/81/1072294481.db2.gz SAIIOBDLRUEWBA-NRFANRHFSA-N 1 0 445.572 0.329 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547420013 1072294576 /nfs/dbraw/zinc/29/45/76/1072294576.db2.gz SAIIOBDLRUEWBA-OAQYLSRUSA-N 1 0 445.572 0.329 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001547422985 1072294995 /nfs/dbraw/zinc/29/49/95/1072294995.db2.gz HUTDVCWQAFUHSD-HNNXBMFYSA-N 1 0 438.602 0.870 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001547422986 1072295026 /nfs/dbraw/zinc/29/50/26/1072295026.db2.gz HUTDVCWQAFUHSD-OAHLLOKOSA-N 1 0 438.602 0.870 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001547423191 1072295018 /nfs/dbraw/zinc/29/50/18/1072295018.db2.gz MCKUNZQDWWAYCX-CLCXKQKWSA-N 1 0 443.618 0.581 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001547423192 1072294985 /nfs/dbraw/zinc/29/49/85/1072294985.db2.gz MCKUNZQDWWAYCX-SPYBWZPUSA-N 1 0 443.618 0.581 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001547423193 1072295032 /nfs/dbraw/zinc/29/50/32/1072295032.db2.gz MCKUNZQDWWAYCX-VCBZYWHSSA-N 1 0 443.618 0.581 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001547423194 1072295034 /nfs/dbraw/zinc/29/50/34/1072295034.db2.gz MCKUNZQDWWAYCX-ZRGWGRIASA-N 1 0 443.618 0.581 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 ZINC001547423658 1072295009 /nfs/dbraw/zinc/29/50/09/1072295009.db2.gz RMVNOANOCDQELH-CABCVRRESA-N 1 0 444.606 0.080 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 ZINC001547423659 1072295044 /nfs/dbraw/zinc/29/50/44/1072295044.db2.gz RMVNOANOCDQELH-GJZGRUSLSA-N 1 0 444.606 0.080 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 ZINC001547423660 1072295005 /nfs/dbraw/zinc/29/50/05/1072295005.db2.gz RMVNOANOCDQELH-HUUCEWRRSA-N 1 0 444.606 0.080 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 ZINC001547423661 1072295040 /nfs/dbraw/zinc/29/50/40/1072295040.db2.gz RMVNOANOCDQELH-LSDHHAIUSA-N 1 0 444.606 0.080 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547425952 1072295037 /nfs/dbraw/zinc/29/50/37/1072295037.db2.gz QMOWYMBGQXBBAF-GDBMZVCRSA-N 1 0 429.525 0.724 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547425953 1072295450 /nfs/dbraw/zinc/29/54/50/1072295450.db2.gz QMOWYMBGQXBBAF-GOEBONIOSA-N 1 0 429.525 0.724 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547425954 1072295431 /nfs/dbraw/zinc/29/54/31/1072295431.db2.gz QMOWYMBGQXBBAF-HOCLYGCPSA-N 1 0 429.525 0.724 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547425955 1072295351 /nfs/dbraw/zinc/29/53/51/1072295351.db2.gz QMOWYMBGQXBBAF-ZBFHGGJFSA-N 1 0 429.525 0.724 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547426306 1072295501 /nfs/dbraw/zinc/29/55/01/1072295501.db2.gz FHTYBYKZQNZILR-CVEARBPZSA-N 1 0 428.541 0.161 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547426307 1072295398 /nfs/dbraw/zinc/29/53/98/1072295398.db2.gz FHTYBYKZQNZILR-HOTGVXAUSA-N 1 0 428.541 0.161 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547426308 1072295464 /nfs/dbraw/zinc/29/54/64/1072295464.db2.gz FHTYBYKZQNZILR-HZPDHXFCSA-N 1 0 428.541 0.161 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547426309 1072295263 /nfs/dbraw/zinc/29/52/63/1072295263.db2.gz FHTYBYKZQNZILR-JKSUJKDBSA-N 1 0 428.541 0.161 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547428611 1072295477 /nfs/dbraw/zinc/29/54/77/1072295477.db2.gz DRNZGCXWQDEYOE-GOEBONIOSA-N 1 0 426.587 0.973 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547428612 1072295408 /nfs/dbraw/zinc/29/54/08/1072295408.db2.gz DRNZGCXWQDEYOE-HOCLYGCPSA-N 1 0 426.587 0.973 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 ZINC001547429717 1072295389 /nfs/dbraw/zinc/29/53/89/1072295389.db2.gz BEZSCNODJWUACI-CVEARBPZSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 ZINC001547429718 1072295441 /nfs/dbraw/zinc/29/54/41/1072295441.db2.gz BEZSCNODJWUACI-HOTGVXAUSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 ZINC001547429719 1072295302 /nfs/dbraw/zinc/29/53/02/1072295302.db2.gz BEZSCNODJWUACI-HZPDHXFCSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 ZINC001547429720 1072295457 /nfs/dbraw/zinc/29/54/57/1072295457.db2.gz BEZSCNODJWUACI-JKSUJKDBSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001547430208 1072295427 /nfs/dbraw/zinc/29/54/27/1072295427.db2.gz CCQIFYRTKGQQOB-DLBZAZTESA-N 1 0 432.573 0.687 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001547430209 1072295339 /nfs/dbraw/zinc/29/53/39/1072295339.db2.gz CCQIFYRTKGQQOB-IRXDYDNUSA-N 1 0 432.573 0.687 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001547430322 1072295278 /nfs/dbraw/zinc/29/52/78/1072295278.db2.gz JXRWKUFWDORULF-ARFHVFGLSA-N 1 0 428.603 0.729 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001547430327 1072295491 /nfs/dbraw/zinc/29/54/91/1072295491.db2.gz JXRWKUFWDORULF-BZUAXINKSA-N 1 0 428.603 0.729 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001547430329 1072295468 /nfs/dbraw/zinc/29/54/68/1072295468.db2.gz JXRWKUFWDORULF-OAGGEKHMSA-N 1 0 428.603 0.729 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001547430332 1072295365 /nfs/dbraw/zinc/29/53/65/1072295365.db2.gz JXRWKUFWDORULF-XHSDSOJGSA-N 1 0 428.603 0.729 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430884 1072295314 /nfs/dbraw/zinc/29/53/14/1072295314.db2.gz MHSOMLISXIGOLY-CVEARBPZSA-N 1 0 442.586 0.799 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430885 1072295835 /nfs/dbraw/zinc/29/58/35/1072295835.db2.gz MHSOMLISXIGOLY-HOTGVXAUSA-N 1 0 442.586 0.799 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430886 1072295891 /nfs/dbraw/zinc/29/58/91/1072295891.db2.gz MHSOMLISXIGOLY-HZPDHXFCSA-N 1 0 442.586 0.799 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430887 1072295951 /nfs/dbraw/zinc/29/59/51/1072295951.db2.gz MHSOMLISXIGOLY-JKSUJKDBSA-N 1 0 442.586 0.799 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547431154 1072295884 /nfs/dbraw/zinc/29/58/84/1072295884.db2.gz NGZWJRSZPUHUPD-BRWVUGGUSA-N 1 0 433.557 0.049 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547431155 1072295980 /nfs/dbraw/zinc/29/59/80/1072295980.db2.gz NGZWJRSZPUHUPD-IKGGRYGDSA-N 1 0 433.557 0.049 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547431156 1072295940 /nfs/dbraw/zinc/29/59/40/1072295940.db2.gz NGZWJRSZPUHUPD-IXDOHACOSA-N 1 0 433.557 0.049 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547431157 1072295811 /nfs/dbraw/zinc/29/58/11/1072295811.db2.gz NGZWJRSZPUHUPD-ZACQAIPSSA-N 1 0 433.557 0.049 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001547431180 1072295928 /nfs/dbraw/zinc/29/59/28/1072295928.db2.gz NRDFSIIFCMIOPL-BRWVUGGUSA-N 1 0 429.587 0.762 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001547431181 1072295774 /nfs/dbraw/zinc/29/57/74/1072295774.db2.gz NRDFSIIFCMIOPL-IKGGRYGDSA-N 1 0 429.587 0.762 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001547431182 1072295865 /nfs/dbraw/zinc/29/58/65/1072295865.db2.gz NRDFSIIFCMIOPL-IXDOHACOSA-N 1 0 429.587 0.762 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001547431183 1072295968 /nfs/dbraw/zinc/29/59/68/1072295968.db2.gz NRDFSIIFCMIOPL-ZACQAIPSSA-N 1 0 429.587 0.762 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001547431609 1072295854 /nfs/dbraw/zinc/29/58/54/1072295854.db2.gz QPWVKAGGKOMNJY-INIZCTEOSA-N 1 0 442.568 0.787 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547432434 1072295964 /nfs/dbraw/zinc/29/59/64/1072295964.db2.gz UABRVATYJTVHIV-IKGGRYGDSA-N 1 0 428.603 0.982 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547432435 1072295906 /nfs/dbraw/zinc/29/59/06/1072295906.db2.gz UABRVATYJTVHIV-IXDOHACOSA-N 1 0 428.603 0.982 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547432436 1072295821 /nfs/dbraw/zinc/29/58/21/1072295821.db2.gz UABRVATYJTVHIV-ULQDDVLXSA-N 1 0 428.603 0.982 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547432437 1072295917 /nfs/dbraw/zinc/29/59/17/1072295917.db2.gz UABRVATYJTVHIV-YESZJQIVSA-N 1 0 428.603 0.982 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001547433515 1072295986 /nfs/dbraw/zinc/29/59/86/1072295986.db2.gz ZENCVXKKWVYEMQ-DOTOQJQBSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001547433517 1072295792 /nfs/dbraw/zinc/29/57/92/1072295792.db2.gz ZENCVXKKWVYEMQ-RDJZCZTQSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001547435135 1072295994 /nfs/dbraw/zinc/29/59/94/1072295994.db2.gz SEZLJOFFDHVAEB-FUHWJXTLSA-N 1 0 447.584 0.787 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001547435136 1072295945 /nfs/dbraw/zinc/29/59/45/1072295945.db2.gz SEZLJOFFDHVAEB-SJLPKXTDSA-N 1 0 447.584 0.787 20 0 ICADRO COCCC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001547441145 1072296410 /nfs/dbraw/zinc/29/64/10/1072296410.db2.gz XHPPOSRDMSEXDH-UHFFFAOYSA-N 1 0 446.591 0.736 20 0 ICADRO C[NH+]1CCN(C[C@H](NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c2ccccc2)CC1 ZINC001547445917 1072296295 /nfs/dbraw/zinc/29/62/95/1072296295.db2.gz DBMZNWGBOQKZTR-FQEVSTJZSA-N 1 0 449.552 0.990 20 0 ICADRO C[NH+]1CCN(C[C@@H](NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c2ccccc2)CC1 ZINC001547445918 1072296488 /nfs/dbraw/zinc/29/64/88/1072296488.db2.gz DBMZNWGBOQKZTR-HXUWFJFHSA-N 1 0 449.552 0.990 20 0 ICADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 ZINC001547451179 1072296898 /nfs/dbraw/zinc/29/68/98/1072296898.db2.gz DBGVFNVOHASXPV-UHFFFAOYSA-N 1 0 434.537 0.966 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001547472046 1072297289 /nfs/dbraw/zinc/29/72/89/1072297289.db2.gz HFECQPOLPGQHCP-JXFKEZNVSA-N 1 0 441.598 0.642 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001547472047 1072297222 /nfs/dbraw/zinc/29/72/22/1072297222.db2.gz HFECQPOLPGQHCP-OXJNMPFZSA-N 1 0 441.598 0.642 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001547472048 1072297317 /nfs/dbraw/zinc/29/73/17/1072297317.db2.gz HFECQPOLPGQHCP-OXQOHEQNSA-N 1 0 441.598 0.642 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001547472049 1072297267 /nfs/dbraw/zinc/29/72/67/1072297267.db2.gz HFECQPOLPGQHCP-UZLBHIALSA-N 1 0 441.598 0.642 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)CC1 ZINC001547472612 1072297322 /nfs/dbraw/zinc/29/73/22/1072297322.db2.gz FOMHWUWDROQFFK-UHFFFAOYSA-N 1 0 441.602 0.260 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(C)c2)CC1 ZINC001547473997 1072297297 /nfs/dbraw/zinc/29/72/97/1072297297.db2.gz DVIMZBRFFCVZNY-UHFFFAOYSA-N 1 0 445.572 0.189 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCO2)CC1 ZINC001547474265 1072297252 /nfs/dbraw/zinc/29/72/52/1072297252.db2.gz LNIXVSWQEJFYHG-JOCHJYFZSA-N 1 0 449.600 0.976 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCO2)CC1 ZINC001547474266 1072297237 /nfs/dbraw/zinc/29/72/37/1072297237.db2.gz LNIXVSWQEJFYHG-QFIPXVFZSA-N 1 0 449.600 0.976 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NC)CC1 ZINC001547474688 1072297337 /nfs/dbraw/zinc/29/73/37/1072297337.db2.gz AXIAKDOWQQCKJV-UHFFFAOYSA-N 1 0 431.541 0.973 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2COCCO2)CC1 ZINC001547474894 1072297352 /nfs/dbraw/zinc/29/73/52/1072297352.db2.gz BETCQXGAYBGBRC-GOSISDBHSA-N 1 0 445.568 0.689 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2COCCO2)CC1 ZINC001547474923 1072297814 /nfs/dbraw/zinc/29/78/14/1072297814.db2.gz CHPRKGFUASDZPI-SFHVURJKSA-N 1 0 446.556 0.084 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001547474969 1072297734 /nfs/dbraw/zinc/29/77/34/1072297734.db2.gz IBWFEVLUAFBVRJ-KRWDZBQOSA-N 1 0 426.587 0.402 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001547474970 1072297706 /nfs/dbraw/zinc/29/77/06/1072297706.db2.gz IBWFEVLUAFBVRJ-QGZVFWFLSA-N 1 0 426.587 0.402 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC)CC1 ZINC001547475103 1072297693 /nfs/dbraw/zinc/29/76/93/1072297693.db2.gz GBMRBQMDVALDSD-UHFFFAOYSA-N 1 0 430.557 0.410 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)CC1 ZINC001547475112 1072297748 /nfs/dbraw/zinc/29/77/48/1072297748.db2.gz GIEDGBVZVRILSU-MSOLQXFVSA-N 1 0 445.568 0.912 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)CC1 ZINC001547475113 1072297675 /nfs/dbraw/zinc/29/76/75/1072297675.db2.gz GIEDGBVZVRILSU-QZTJIDSGSA-N 1 0 445.568 0.912 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)CC1 ZINC001547475114 1072297651 /nfs/dbraw/zinc/29/76/51/1072297651.db2.gz GIEDGBVZVRILSU-ROUUACIJSA-N 1 0 445.568 0.912 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)CC1 ZINC001547475115 1072297827 /nfs/dbraw/zinc/29/78/27/1072297827.db2.gz GIEDGBVZVRILSU-ZWKOTPCHSA-N 1 0 445.568 0.912 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCCS(C)(=O)=O)CC1 ZINC001547475165 1072297758 /nfs/dbraw/zinc/29/77/58/1072297758.db2.gz LXMBIBBBZXIFND-UHFFFAOYSA-N 1 0 428.603 0.827 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC2)CC1 ZINC001547475628 1072297851 /nfs/dbraw/zinc/29/78/51/1072297851.db2.gz WBTGGJGERHKKLV-HNNXBMFYSA-N 1 0 441.602 0.289 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC2)CC1 ZINC001547475629 1072297715 /nfs/dbraw/zinc/29/77/15/1072297715.db2.gz WBTGGJGERHKKLV-OAHLLOKOSA-N 1 0 441.602 0.289 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccoc2)CC1 ZINC001547475669 1072297799 /nfs/dbraw/zinc/29/77/99/1072297799.db2.gz PDCGSIUPSAFXAZ-KRWDZBQOSA-N 1 0 429.525 0.861 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccoc2)CC1 ZINC001547475670 1072297784 /nfs/dbraw/zinc/29/77/84/1072297784.db2.gz PDCGSIUPSAFXAZ-QGZVFWFLSA-N 1 0 429.525 0.861 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001547475812 1072297873 /nfs/dbraw/zinc/29/78/73/1072297873.db2.gz RJZHDPCRNZKMRK-UHFFFAOYSA-N 1 0 445.490 0.824 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC1 ZINC001547475815 1072297918 /nfs/dbraw/zinc/29/79/18/1072297918.db2.gz RKMUHSQFYQKORO-UHFFFAOYSA-N 1 0 442.568 0.809 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3noc4c3COCC4)n2CCOC)CC1 ZINC001547475869 1072297684 /nfs/dbraw/zinc/29/76/84/1072297684.db2.gz TVHHCHJQPPVZAC-UHFFFAOYSA-N 1 0 447.540 0.643 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N(C)C)CC1 ZINC001547475891 1072297771 /nfs/dbraw/zinc/29/77/71/1072297771.db2.gz UKGWONFTZNYTEI-UHFFFAOYSA-N 1 0 445.572 0.147 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2cnnn2C)CC1 ZINC001547475917 1072297659 /nfs/dbraw/zinc/29/76/59/1072297659.db2.gz VUJHWBHHHLEJKR-UHFFFAOYSA-N 1 0 438.540 0.507 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnnn2C)CC1 ZINC001547475918 1072297893 /nfs/dbraw/zinc/29/78/93/1072297893.db2.gz VVQGMUFUCIRZSX-UHFFFAOYSA-N 1 0 426.529 0.440 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCCc2cnn(C)n2)CC1 ZINC001547476021 1072298253 /nfs/dbraw/zinc/29/82/53/1072298253.db2.gz YZWHMUANRXGOMD-UHFFFAOYSA-N 1 0 429.573 0.907 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2COCCO2)CC1 ZINC001547476115 1072298395 /nfs/dbraw/zinc/29/83/95/1072298395.db2.gz DFXIFAQYWPUMDR-MSOLQXFVSA-N 1 0 436.557 0.188 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2COCCO2)CC1 ZINC001547476116 1072298587 /nfs/dbraw/zinc/29/85/87/1072298587.db2.gz DFXIFAQYWPUMDR-ROUUACIJSA-N 1 0 436.557 0.188 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001547476357 1072298540 /nfs/dbraw/zinc/29/85/40/1072298540.db2.gz KRTFHZAJZIXNGD-KRWDZBQOSA-N 1 0 435.573 0.251 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001547476358 1072298297 /nfs/dbraw/zinc/29/82/97/1072298297.db2.gz KRTFHZAJZIXNGD-QGZVFWFLSA-N 1 0 435.573 0.251 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(C)c2)CC1 ZINC001547476413 1072298556 /nfs/dbraw/zinc/29/85/56/1072298556.db2.gz MMZWSVGRDOLXFQ-GOSISDBHSA-N 1 0 430.557 0.554 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(C)c2)CC1 ZINC001547476414 1072298495 /nfs/dbraw/zinc/29/84/95/1072298495.db2.gz MMZWSVGRDOLXFQ-SFHVURJKSA-N 1 0 430.557 0.554 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001547476520 1072298358 /nfs/dbraw/zinc/29/83/58/1072298358.db2.gz PXSDQFUSMPVEOR-INIZCTEOSA-N 1 0 435.573 0.381 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001547476521 1072298447 /nfs/dbraw/zinc/29/84/47/1072298447.db2.gz PXSDQFUSMPVEOR-MRXNPFEDSA-N 1 0 435.573 0.381 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC2)CC1 ZINC001547476715 1072298280 /nfs/dbraw/zinc/29/82/80/1072298280.db2.gz VSDWQWKIYRIXQK-UHFFFAOYSA-N 1 0 427.553 0.779 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2snnc2C)CC1 ZINC001547476721 1072298419 /nfs/dbraw/zinc/29/84/19/1072298419.db2.gz VWUDYHZBBJYFPM-INIZCTEOSA-N 1 0 448.597 0.981 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2snnc2C)CC1 ZINC001547476722 1072298573 /nfs/dbraw/zinc/29/85/73/1072298573.db2.gz VWUDYHZBBJYFPM-MRXNPFEDSA-N 1 0 448.597 0.981 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001547476771 1072298267 /nfs/dbraw/zinc/29/82/67/1072298267.db2.gz XGZWXAVPQLEREO-GOSISDBHSA-N 1 0 449.600 0.641 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001547476772 1072298335 /nfs/dbraw/zinc/29/83/35/1072298335.db2.gz XGZWXAVPQLEREO-SFHVURJKSA-N 1 0 449.600 0.641 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCn2cncn2)CC1 ZINC001547476811 1072298371 /nfs/dbraw/zinc/29/83/71/1072298371.db2.gz ARFPXQJDQUKOSU-QGZVFWFLSA-N 1 0 431.545 0.412 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)O)CC1 ZINC001547477147 1072298472 /nfs/dbraw/zinc/29/84/72/1072298472.db2.gz JBYLUSUGVDXYET-UHFFFAOYSA-N 1 0 446.600 0.901 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2COCCO2)CC1 ZINC001547477152 1072298321 /nfs/dbraw/zinc/29/83/21/1072298321.db2.gz JDDDMVMDWIYYRC-QZTJIDSGSA-N 1 0 436.557 0.535 20 0 ICADRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC001547477232 1072298349 /nfs/dbraw/zinc/29/83/49/1072298349.db2.gz KWDMQIUEWGATSX-IBGZPJMESA-N 1 0 425.537 0.624 20 0 ICADRO CC[NH+](CC)Cc1ccc(Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC001547477235 1072298312 /nfs/dbraw/zinc/29/83/12/1072298312.db2.gz KWDMQIUEWGATSX-LJQANCHMSA-N 1 0 425.537 0.624 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)OC)CC1 ZINC001547477426 1072298517 /nfs/dbraw/zinc/29/85/17/1072298517.db2.gz NZERGGSEHQLTSQ-KRWDZBQOSA-N 1 0 435.573 0.426 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)OC)CC1 ZINC001547477427 1072299120 /nfs/dbraw/zinc/29/91/20/1072299120.db2.gz NZERGGSEHQLTSQ-QGZVFWFLSA-N 1 0 435.573 0.426 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(C)(=O)=O)C1 ZINC001547480681 1072299023 /nfs/dbraw/zinc/29/90/23/1072299023.db2.gz LYWBDYNEQFNFAW-INIZCTEOSA-N 1 0 426.587 0.727 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(C)(=O)=O)C1 ZINC001547480682 1072299105 /nfs/dbraw/zinc/29/91/05/1072299105.db2.gz LYWBDYNEQFNFAW-MRXNPFEDSA-N 1 0 426.587 0.727 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2)C1 ZINC001547481979 1072299032 /nfs/dbraw/zinc/29/90/32/1072299032.db2.gz OIANXNNWNSAINZ-CVEARBPZSA-N 1 0 438.602 0.838 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2)C1 ZINC001547481980 1072299070 /nfs/dbraw/zinc/29/90/70/1072299070.db2.gz OIANXNNWNSAINZ-HOTGVXAUSA-N 1 0 438.602 0.838 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2)C1 ZINC001547481981 1072298965 /nfs/dbraw/zinc/29/89/65/1072298965.db2.gz OIANXNNWNSAINZ-HZPDHXFCSA-N 1 0 438.602 0.838 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2)C1 ZINC001547481982 1072298932 /nfs/dbraw/zinc/29/89/32/1072298932.db2.gz OIANXNNWNSAINZ-JKSUJKDBSA-N 1 0 438.602 0.838 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001547482692 1072298983 /nfs/dbraw/zinc/29/89/83/1072298983.db2.gz AUAGDUNWUWIMHV-JXFKEZNVSA-N 1 0 436.582 0.991 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001547482694 1072298889 /nfs/dbraw/zinc/29/88/89/1072298889.db2.gz AUAGDUNWUWIMHV-OXJNMPFZSA-N 1 0 436.582 0.991 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001547482696 1072299136 /nfs/dbraw/zinc/29/91/36/1072299136.db2.gz AUAGDUNWUWIMHV-OXQOHEQNSA-N 1 0 436.582 0.991 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001547482697 1072298954 /nfs/dbraw/zinc/29/89/54/1072298954.db2.gz AUAGDUNWUWIMHV-UZLBHIALSA-N 1 0 436.582 0.991 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)C1 ZINC001547483877 1072299060 /nfs/dbraw/zinc/29/90/60/1072299060.db2.gz IWKPODMOBHMZRV-BZSNNMDCSA-N 1 0 441.598 0.764 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)C1 ZINC001547483878 1072298877 /nfs/dbraw/zinc/29/88/77/1072298877.db2.gz IWKPODMOBHMZRV-KSZLIROESA-N 1 0 441.598 0.764 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)C1 ZINC001547483879 1072299045 /nfs/dbraw/zinc/29/90/45/1072299045.db2.gz IWKPODMOBHMZRV-KURKYZTESA-N 1 0 441.598 0.764 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)C1 ZINC001547483880 1072299082 /nfs/dbraw/zinc/29/90/82/1072299082.db2.gz IWKPODMOBHMZRV-SQNIBIBYSA-N 1 0 441.598 0.764 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nncn2C)C1 ZINC001547484757 1072299092 /nfs/dbraw/zinc/29/90/92/1072299092.db2.gz NGNRCTUSFKUJRB-CVEARBPZSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nncn2C)C1 ZINC001547484758 1072298920 /nfs/dbraw/zinc/29/89/20/1072298920.db2.gz NGNRCTUSFKUJRB-HOTGVXAUSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nncn2C)C1 ZINC001547484759 1072299009 /nfs/dbraw/zinc/29/90/09/1072299009.db2.gz NGNRCTUSFKUJRB-HZPDHXFCSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nncn2C)C1 ZINC001547484760 1072298901 /nfs/dbraw/zinc/29/89/01/1072298901.db2.gz NGNRCTUSFKUJRB-JKSUJKDBSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)C1 ZINC001547485131 1072298996 /nfs/dbraw/zinc/29/89/96/1072298996.db2.gz PCTOTKXOPFWTFY-CVEARBPZSA-N 1 0 447.627 0.393 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)C1 ZINC001547485132 1072299557 /nfs/dbraw/zinc/29/95/57/1072299557.db2.gz PCTOTKXOPFWTFY-HOTGVXAUSA-N 1 0 447.627 0.393 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)C1 ZINC001547485133 1072299479 /nfs/dbraw/zinc/29/94/79/1072299479.db2.gz PCTOTKXOPFWTFY-HZPDHXFCSA-N 1 0 447.627 0.393 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)C1 ZINC001547485134 1072299412 /nfs/dbraw/zinc/29/94/12/1072299412.db2.gz PCTOTKXOPFWTFY-JKSUJKDBSA-N 1 0 447.627 0.393 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001547485491 1072299606 /nfs/dbraw/zinc/29/96/06/1072299606.db2.gz SMVNAGPMVLCJFS-CVEARBPZSA-N 1 0 438.598 0.975 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001547485493 1072299490 /nfs/dbraw/zinc/29/94/90/1072299490.db2.gz SMVNAGPMVLCJFS-HOTGVXAUSA-N 1 0 438.598 0.975 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001547485494 1072299531 /nfs/dbraw/zinc/29/95/31/1072299531.db2.gz SMVNAGPMVLCJFS-HZPDHXFCSA-N 1 0 438.598 0.975 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001547485495 1072299630 /nfs/dbraw/zinc/29/96/30/1072299630.db2.gz SMVNAGPMVLCJFS-JKSUJKDBSA-N 1 0 438.598 0.975 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)C1 ZINC001547485769 1072299423 /nfs/dbraw/zinc/29/94/23/1072299423.db2.gz VDTQBTLYIYSYND-KRWDZBQOSA-N 1 0 448.597 0.939 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)C1 ZINC001547485770 1072299454 /nfs/dbraw/zinc/29/94/54/1072299454.db2.gz VDTQBTLYIYSYND-QGZVFWFLSA-N 1 0 448.597 0.939 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC(C)C)C1 ZINC001547486243 1072299520 /nfs/dbraw/zinc/29/95/20/1072299520.db2.gz WOXSWTLPYXCYAW-DLBZAZTESA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC(C)C)C1 ZINC001547486244 1072299507 /nfs/dbraw/zinc/29/95/07/1072299507.db2.gz WOXSWTLPYXCYAW-IAGOWNOFSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001547486421 1072299542 /nfs/dbraw/zinc/29/95/42/1072299542.db2.gz ZLSQZGXFWZIOIH-AEFFLSMTSA-N 1 0 440.552 0.940 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001547486422 1072299466 /nfs/dbraw/zinc/29/94/66/1072299466.db2.gz ZLSQZGXFWZIOIH-FUHWJXTLSA-N 1 0 440.552 0.940 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001547486423 1072299568 /nfs/dbraw/zinc/29/95/68/1072299568.db2.gz ZLSQZGXFWZIOIH-SJLPKXTDSA-N 1 0 440.552 0.940 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001547486424 1072299618 /nfs/dbraw/zinc/29/96/18/1072299618.db2.gz ZLSQZGXFWZIOIH-WMZOPIPTSA-N 1 0 440.552 0.940 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC(C)C)C1 ZINC001547486443 1072299661 /nfs/dbraw/zinc/29/96/61/1072299661.db2.gz WOXSWTLPYXCYAW-IRXDYDNUSA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC(C)C)C1 ZINC001547486444 1072299648 /nfs/dbraw/zinc/29/96/48/1072299648.db2.gz WOXSWTLPYXCYAW-SJORKVTESA-N 1 0 440.614 0.873 20 0 ICADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001547488353 1072299582 /nfs/dbraw/zinc/29/95/82/1072299582.db2.gz KPSVEZOJWSQUIW-IAGOWNOFSA-N 1 0 436.557 0.606 20 0 ICADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001547488359 1072299592 /nfs/dbraw/zinc/29/95/92/1072299592.db2.gz KUEVYDZTGQCBIF-UHFFFAOYSA-N 1 0 445.572 0.735 20 0 ICADRO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001547488408 1072299443 /nfs/dbraw/zinc/29/94/43/1072299443.db2.gz MCEVOPWQUKKEAJ-UHFFFAOYSA-N 1 0 447.588 0.600 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001547488594 1072300025 /nfs/dbraw/zinc/30/00/25/1072300025.db2.gz PWMTXZVQPYNBHM-CABCVRRESA-N 1 0 429.591 0.287 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001547488595 1072300097 /nfs/dbraw/zinc/30/00/97/1072300097.db2.gz PWMTXZVQPYNBHM-GJZGRUSLSA-N 1 0 429.591 0.287 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001547488596 1072300061 /nfs/dbraw/zinc/30/00/61/1072300061.db2.gz PWMTXZVQPYNBHM-HUUCEWRRSA-N 1 0 429.591 0.287 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001547488597 1072299963 /nfs/dbraw/zinc/29/99/63/1072299963.db2.gz PWMTXZVQPYNBHM-LSDHHAIUSA-N 1 0 429.591 0.287 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001547488658 1072299991 /nfs/dbraw/zinc/29/99/91/1072299991.db2.gz RSDXCCHEJPPNBD-CVEARBPZSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001547488659 1072300107 /nfs/dbraw/zinc/30/01/07/1072300107.db2.gz RSDXCCHEJPPNBD-HOTGVXAUSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001547488660 1072299998 /nfs/dbraw/zinc/29/99/98/1072299998.db2.gz RSDXCCHEJPPNBD-HZPDHXFCSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001547488661 1072300117 /nfs/dbraw/zinc/30/01/17/1072300117.db2.gz RSDXCCHEJPPNBD-JKSUJKDBSA-N 1 0 441.602 0.431 20 0 ICADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547488825 1072300049 /nfs/dbraw/zinc/30/00/49/1072300049.db2.gz VWWFLRJSYOSOIG-INIZCTEOSA-N 1 0 443.618 0.618 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547489273 1072300086 /nfs/dbraw/zinc/30/00/86/1072300086.db2.gz JFAKVTBTHJTMEI-KRWDZBQOSA-N 1 0 426.525 0.219 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547489278 1072299942 /nfs/dbraw/zinc/29/99/42/1072299942.db2.gz JFAKVTBTHJTMEI-QGZVFWFLSA-N 1 0 426.525 0.219 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)CC1 ZINC001547490102 1072300139 /nfs/dbraw/zinc/30/01/39/1072300139.db2.gz QJXHYFKYNVCRBZ-UHFFFAOYSA-N 1 0 438.540 0.979 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001547491777 1072300073 /nfs/dbraw/zinc/30/00/73/1072300073.db2.gz BJQKCERVYYCMPA-MSOLQXFVSA-N 1 0 447.584 0.789 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001547491779 1072300127 /nfs/dbraw/zinc/30/01/27/1072300127.db2.gz BJQKCERVYYCMPA-QZTJIDSGSA-N 1 0 447.584 0.789 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001547491780 1072300038 /nfs/dbraw/zinc/30/00/38/1072300038.db2.gz BJQKCERVYYCMPA-ROUUACIJSA-N 1 0 447.584 0.789 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001547491781 1072299952 /nfs/dbraw/zinc/29/99/52/1072299952.db2.gz BJQKCERVYYCMPA-ZWKOTPCHSA-N 1 0 447.584 0.789 20 0 ICADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547492267 1072299933 /nfs/dbraw/zinc/29/99/33/1072299933.db2.gz WMZJDVVOTXSXLZ-INIZCTEOSA-N 1 0 438.602 0.881 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001547492781 1072299921 /nfs/dbraw/zinc/29/99/21/1072299921.db2.gz ONZSNWOJRFIHML-GOSISDBHSA-N 1 0 440.614 0.971 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001547492782 1072299979 /nfs/dbraw/zinc/29/99/79/1072299979.db2.gz ONZSNWOJRFIHML-SFHVURJKSA-N 1 0 440.614 0.971 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001547493110 1072300009 /nfs/dbraw/zinc/30/00/09/1072300009.db2.gz WBMSXSTXWCLSLL-KRWDZBQOSA-N 1 0 428.603 0.986 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001547493111 1072300485 /nfs/dbraw/zinc/30/04/85/1072300485.db2.gz WBMSXSTXWCLSLL-QGZVFWFLSA-N 1 0 428.603 0.986 20 0 ICADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001547494644 1072300540 /nfs/dbraw/zinc/30/05/40/1072300540.db2.gz SQSZFMNOXBOYDV-KRWDZBQOSA-N 1 0 432.573 0.688 20 0 ICADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001547494645 1072300473 /nfs/dbraw/zinc/30/04/73/1072300473.db2.gz SQSZFMNOXBOYDV-QGZVFWFLSA-N 1 0 432.573 0.688 20 0 ICADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001547494842 1072300646 /nfs/dbraw/zinc/30/06/46/1072300646.db2.gz ZRYISSVNNFZLHE-UHFFFAOYSA-N 1 0 446.604 0.934 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001547495233 1072300527 /nfs/dbraw/zinc/30/05/27/1072300527.db2.gz AFJDLPPVCASINF-DYESRHJHSA-N 1 0 436.557 0.583 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001547495234 1072300512 /nfs/dbraw/zinc/30/05/12/1072300512.db2.gz AFJDLPPVCASINF-LAUBAEHRSA-N 1 0 436.557 0.583 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001547495235 1072300684 /nfs/dbraw/zinc/30/06/84/1072300684.db2.gz AFJDLPPVCASINF-UTKZUKDTSA-N 1 0 436.557 0.583 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001547495236 1072300631 /nfs/dbraw/zinc/30/06/31/1072300631.db2.gz AFJDLPPVCASINF-UWJYYQICSA-N 1 0 436.557 0.583 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001547495301 1072300497 /nfs/dbraw/zinc/30/04/97/1072300497.db2.gz BCBBHXPQZNSRCY-MSOLQXFVSA-N 1 0 435.573 0.744 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001547495302 1072300443 /nfs/dbraw/zinc/30/04/43/1072300443.db2.gz BCBBHXPQZNSRCY-QZTJIDSGSA-N 1 0 435.573 0.744 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001547495303 1072300582 /nfs/dbraw/zinc/30/05/82/1072300582.db2.gz BCBBHXPQZNSRCY-ROUUACIJSA-N 1 0 435.573 0.744 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001547495304 1072300552 /nfs/dbraw/zinc/30/05/52/1072300552.db2.gz BCBBHXPQZNSRCY-ZWKOTPCHSA-N 1 0 435.573 0.744 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001547495408 1072300618 /nfs/dbraw/zinc/30/06/18/1072300618.db2.gz CBNVMYIWVDPYQB-KURKYZTESA-N 1 0 443.614 0.746 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001547495409 1072300449 /nfs/dbraw/zinc/30/04/49/1072300449.db2.gz CBNVMYIWVDPYQB-SQNIBIBYSA-N 1 0 443.614 0.746 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 ZINC001547495884 1072300565 /nfs/dbraw/zinc/30/05/65/1072300565.db2.gz LNRCBYKCGCTAMC-GOSISDBHSA-N 1 0 435.573 0.646 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 ZINC001547495885 1072300433 /nfs/dbraw/zinc/30/04/33/1072300433.db2.gz LNRCBYKCGCTAMC-SFHVURJKSA-N 1 0 435.573 0.646 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 ZINC001547495913 1072300679 /nfs/dbraw/zinc/30/06/79/1072300679.db2.gz QGQDOLNHDBGKCW-IRXDYDNUSA-N 1 0 429.587 0.969 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001547496086 1072300466 /nfs/dbraw/zinc/30/04/66/1072300466.db2.gz NZSNMLCJKKVOGZ-KRWDZBQOSA-N 1 0 430.557 0.856 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001547496087 1072300600 /nfs/dbraw/zinc/30/06/00/1072300600.db2.gz NZSNMLCJKKVOGZ-QGZVFWFLSA-N 1 0 430.557 0.856 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001547496602 1072300696 /nfs/dbraw/zinc/30/06/96/1072300696.db2.gz XQKJTQONKXZEOT-KRWDZBQOSA-N 1 0 445.568 0.797 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001547496603 1072300981 /nfs/dbraw/zinc/30/09/81/1072300981.db2.gz XQKJTQONKXZEOT-QGZVFWFLSA-N 1 0 445.568 0.797 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 ZINC001547496922 1072301124 /nfs/dbraw/zinc/30/11/24/1072301124.db2.gz OMLBNBZJDGJPKW-OAHLLOKOSA-N 1 0 435.554 0.891 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001547496975 1072301040 /nfs/dbraw/zinc/30/10/40/1072301040.db2.gz RNPQPPVIPYBVET-ILXRZTDVSA-N 1 0 430.575 0.618 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001547496976 1072301003 /nfs/dbraw/zinc/30/10/03/1072301003.db2.gz RNPQPPVIPYBVET-KFWWJZLASA-N 1 0 430.575 0.618 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001547496977 1072301072 /nfs/dbraw/zinc/30/10/72/1072301072.db2.gz RNPQPPVIPYBVET-QLFBSQMISA-N 1 0 430.575 0.618 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001547496978 1072301009 /nfs/dbraw/zinc/30/10/09/1072301009.db2.gz RNPQPPVIPYBVET-RBSFLKMASA-N 1 0 430.575 0.618 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001547497001 1072301027 /nfs/dbraw/zinc/30/10/27/1072301027.db2.gz TXCUEIBRKBWDEF-CABCVRRESA-N 1 0 445.590 0.507 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001547497002 1072300999 /nfs/dbraw/zinc/30/09/99/1072300999.db2.gz TXCUEIBRKBWDEF-HUUCEWRRSA-N 1 0 445.590 0.507 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001547497009 1072301062 /nfs/dbraw/zinc/30/10/62/1072301062.db2.gz UFVLDAHPNGSHPP-KFWWJZLASA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001547497010 1072301081 /nfs/dbraw/zinc/30/10/81/1072301081.db2.gz UFVLDAHPNGSHPP-RBSFLKMASA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001547497011 1072300989 /nfs/dbraw/zinc/30/09/89/1072300989.db2.gz UFVLDAHPNGSHPP-RRFJBIMHSA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001547497012 1072301017 /nfs/dbraw/zinc/30/10/17/1072301017.db2.gz UFVLDAHPNGSHPP-ZNMIVQPWSA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001547497106 1072301033 /nfs/dbraw/zinc/30/10/33/1072301033.db2.gz ZTFAVOIEHUFBFD-CLCXKQKWSA-N 1 0 441.602 0.335 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001547497107 1072301106 /nfs/dbraw/zinc/30/11/06/1072301106.db2.gz ZTFAVOIEHUFBFD-SPYBWZPUSA-N 1 0 441.602 0.335 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001547497108 1072300968 /nfs/dbraw/zinc/30/09/68/1072300968.db2.gz ZTFAVOIEHUFBFD-VCBZYWHSSA-N 1 0 441.602 0.335 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001547497109 1072301086 /nfs/dbraw/zinc/30/10/86/1072301086.db2.gz ZTFAVOIEHUFBFD-ZRGWGRIASA-N 1 0 441.602 0.335 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001547498409 1072301098 /nfs/dbraw/zinc/30/10/98/1072301098.db2.gz PRGCLEDUMXHSBV-QGZVFWFLSA-N 1 0 429.573 0.676 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547499056 1072301051 /nfs/dbraw/zinc/30/10/51/1072301051.db2.gz QPNXNXHEGWTEAN-GDBMZVCRSA-N 1 0 441.602 0.478 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547499057 1072301116 /nfs/dbraw/zinc/30/11/16/1072301116.db2.gz QPNXNXHEGWTEAN-ZBFHGGJFSA-N 1 0 441.602 0.478 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001547499171 1072301148 /nfs/dbraw/zinc/30/11/48/1072301148.db2.gz VPGRDMTYHTWTPJ-NVXWUHKLSA-N 1 0 432.573 0.954 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001547499172 1072301711 /nfs/dbraw/zinc/30/17/11/1072301711.db2.gz VPGRDMTYHTWTPJ-WBVHZDCISA-N 1 0 432.573 0.954 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001547499291 1072301776 /nfs/dbraw/zinc/30/17/76/1072301776.db2.gz BQRIBTXCUHGBLF-MSOLQXFVSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001547499302 1072301798 /nfs/dbraw/zinc/30/17/98/1072301798.db2.gz BQRIBTXCUHGBLF-QZTJIDSGSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001547499734 1072301600 /nfs/dbraw/zinc/30/16/00/1072301600.db2.gz LRRGCLKWTCYYFZ-CVEARBPZSA-N 1 0 428.603 0.871 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001547499735 1072301752 /nfs/dbraw/zinc/30/17/52/1072301752.db2.gz LRRGCLKWTCYYFZ-HZPDHXFCSA-N 1 0 428.603 0.871 20 0 ICADRO CCN(Cc1cnn(C)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CC=CCC1 ZINC001547524879 1072301531 /nfs/dbraw/zinc/30/15/31/1072301531.db2.gz JTKXTRGFAKEEDU-INIZCTEOSA-N 1 0 436.586 0.910 20 0 ICADRO CCN(Cc1cnn(C)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CC=CCC1 ZINC001547524880 1072301644 /nfs/dbraw/zinc/30/16/44/1072301644.db2.gz JTKXTRGFAKEEDU-MRXNPFEDSA-N 1 0 436.586 0.910 20 0 ICADRO CCN(CCCn1c(C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001547573352 1072304447 /nfs/dbraw/zinc/30/44/47/1072304447.db2.gz YFOVPALIHVBTPM-SFHVURJKSA-N 1 0 428.603 0.807 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001547577083 1072307052 /nfs/dbraw/zinc/30/70/52/1072307052.db2.gz RLCIAEQUVBRECH-UHFFFAOYSA-N 1 0 430.557 0.803 20 0 ICADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1)C1CC1 ZINC001547577629 1072306970 /nfs/dbraw/zinc/30/69/70/1072306970.db2.gz LMFVMJNSEKSEFA-UHFFFAOYSA-N 1 0 429.573 0.961 20 0 ICADRO CC[N@H+](CCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C1CC1 ZINC001547578443 1072306882 /nfs/dbraw/zinc/30/68/82/1072306882.db2.gz DBCSQRDXCCQUGE-UHFFFAOYSA-N 1 0 445.572 0.352 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)C1CC1 ZINC001547578839 1072306990 /nfs/dbraw/zinc/30/69/90/1072306990.db2.gz HBNSEDQWHMASMS-LTBNCBHWSA-N 1 0 440.614 0.970 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)C1CC1 ZINC001547578841 1072306793 /nfs/dbraw/zinc/30/67/93/1072306793.db2.gz HBNSEDQWHMASMS-SXVFUXMRSA-N 1 0 440.614 0.970 20 0 ICADRO CC[N@H+](CCn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)CCC(F)(F)F ZINC001547579328 1072306810 /nfs/dbraw/zinc/30/68/10/1072306810.db2.gz STBOCPYPFJDYIF-UHFFFAOYSA-N 1 0 444.466 0.196 20 0 ICADRO CC[N@H+](CCn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC001547579678 1072306844 /nfs/dbraw/zinc/30/68/44/1072306844.db2.gz XRHIBJPOGQVQPS-GOSISDBHSA-N 1 0 426.587 0.702 20 0 ICADRO CC[N@H+](CCn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC001547579680 1072306934 /nfs/dbraw/zinc/30/69/34/1072306934.db2.gz XRHIBJPOGQVQPS-SFHVURJKSA-N 1 0 426.587 0.702 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001547579908 1072306952 /nfs/dbraw/zinc/30/69/52/1072306952.db2.gz ONYZGKZBSGQAEB-CVEARBPZSA-N 1 0 441.602 0.430 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001547579914 1072306902 /nfs/dbraw/zinc/30/69/02/1072306902.db2.gz ONYZGKZBSGQAEB-HOTGVXAUSA-N 1 0 441.602 0.430 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001547579916 1072307470 /nfs/dbraw/zinc/30/74/70/1072307470.db2.gz ONYZGKZBSGQAEB-HZPDHXFCSA-N 1 0 441.602 0.430 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001547579918 1072307364 /nfs/dbraw/zinc/30/73/64/1072307364.db2.gz ONYZGKZBSGQAEB-JKSUJKDBSA-N 1 0 441.602 0.430 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1)C(C)C ZINC001547580246 1072307485 /nfs/dbraw/zinc/30/74/85/1072307485.db2.gz UFMUPPZFIGSCQU-CABCVRRESA-N 1 0 430.575 0.618 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1)C(C)C ZINC001547580247 1072307558 /nfs/dbraw/zinc/30/75/58/1072307558.db2.gz UFMUPPZFIGSCQU-GJZGRUSLSA-N 1 0 430.575 0.618 20 0 ICADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1)C(C)C ZINC001547580248 1072307354 /nfs/dbraw/zinc/30/73/54/1072307354.db2.gz UFMUPPZFIGSCQU-HUUCEWRRSA-N 1 0 430.575 0.618 20 0 ICADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1)C(C)C ZINC001547580249 1072307535 /nfs/dbraw/zinc/30/75/35/1072307535.db2.gz UFMUPPZFIGSCQU-LSDHHAIUSA-N 1 0 430.575 0.618 20 0 ICADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C ZINC001547584542 1072307570 /nfs/dbraw/zinc/30/75/70/1072307570.db2.gz APIFGRHUDQKTRL-UHFFFAOYSA-N 1 0 442.568 0.931 20 0 ICADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001547584544 1072307407 /nfs/dbraw/zinc/30/74/07/1072307407.db2.gz APVNRUDUBVMCCS-UHFFFAOYSA-N 1 0 441.544 0.339 20 0 ICADRO CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001547586141 1072307448 /nfs/dbraw/zinc/30/74/48/1072307448.db2.gz FOOAAAWHCIOBFC-UHFFFAOYSA-N 1 0 429.573 0.676 20 0 ICADRO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001547586919 1072307422 /nfs/dbraw/zinc/30/74/22/1072307422.db2.gz FFXWXDVBBIQIDT-UHFFFAOYSA-N 1 0 430.561 0.611 20 0 ICADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)C(C)C ZINC001547588624 1072307608 /nfs/dbraw/zinc/30/76/08/1072307608.db2.gz QXDOPFUCZAZGLH-GOSISDBHSA-N 1 0 448.616 0.606 20 0 ICADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)C(C)C ZINC001547588630 1072307593 /nfs/dbraw/zinc/30/75/93/1072307593.db2.gz QXDOPFUCZAZGLH-SFHVURJKSA-N 1 0 448.616 0.606 20 0 ICADRO CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C ZINC001547590452 1072307520 /nfs/dbraw/zinc/30/75/20/1072307520.db2.gz NKBQANKMANKEPA-GOSISDBHSA-N 1 0 433.601 0.913 20 0 ICADRO CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C ZINC001547590453 1072307386 /nfs/dbraw/zinc/30/73/86/1072307386.db2.gz NKBQANKMANKEPA-SFHVURJKSA-N 1 0 433.601 0.913 20 0 ICADRO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001547590765 1072308236 /nfs/dbraw/zinc/30/82/36/1072308236.db2.gz UJWURECWBDKXBE-CVEARBPZSA-N 1 0 426.587 0.612 20 0 ICADRO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001547590766 1072308099 /nfs/dbraw/zinc/30/80/99/1072308099.db2.gz UJWURECWBDKXBE-HOTGVXAUSA-N 1 0 426.587 0.612 20 0 ICADRO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001547590767 1072307867 /nfs/dbraw/zinc/30/78/67/1072307867.db2.gz UJWURECWBDKXBE-HZPDHXFCSA-N 1 0 426.587 0.612 20 0 ICADRO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001547590768 1072308221 /nfs/dbraw/zinc/30/82/21/1072308221.db2.gz UJWURECWBDKXBE-JKSUJKDBSA-N 1 0 426.587 0.612 20 0 ICADRO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001547590788 1072308120 /nfs/dbraw/zinc/30/81/20/1072308120.db2.gz USQDKTZZYVGLMK-YESZJQIVSA-N 1 0 429.587 0.761 20 0 ICADRO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001547590789 1072307898 /nfs/dbraw/zinc/30/78/98/1072307898.db2.gz USQDKTZZYVGLMK-ZACQAIPSSA-N 1 0 429.587 0.761 20 0 ICADRO CC[N@H+](CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001547593821 1072308148 /nfs/dbraw/zinc/30/81/48/1072308148.db2.gz QQPHHHCMBRFZKM-UHFFFAOYSA-N 1 0 432.577 0.542 20 0 ICADRO CC[N@H+](CCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C ZINC001547594855 1072308167 /nfs/dbraw/zinc/30/81/67/1072308167.db2.gz VIDLHTYFPBXNRC-UHFFFAOYSA-N 1 0 431.585 0.888 20 0 ICADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)C1CC1 ZINC001547595090 1072308204 /nfs/dbraw/zinc/30/82/04/1072308204.db2.gz BSNFXDQWZYHZQL-NVXWUHKLSA-N 1 0 434.541 0.245 20 0 ICADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C ZINC001547596002 1072307983 /nfs/dbraw/zinc/30/79/83/1072307983.db2.gz SYTKIFISSHIVOG-GOSISDBHSA-N 1 0 435.573 0.472 20 0 ICADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C ZINC001547596004 1072308187 /nfs/dbraw/zinc/30/81/87/1072308187.db2.gz SYTKIFISSHIVOG-SFHVURJKSA-N 1 0 435.573 0.472 20 0 ICADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F ZINC001547596298 1072308024 /nfs/dbraw/zinc/30/80/24/1072308024.db2.gz XBBMXTOGOUWXDR-UHFFFAOYSA-N 1 0 445.490 0.953 20 0 ICADRO CC[N@H+](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)C(C)C ZINC001547596940 1072307921 /nfs/dbraw/zinc/30/79/21/1072307921.db2.gz AUTVRMFWJJACJR-HNNXBMFYSA-N 1 0 440.574 0.818 20 0 ICADRO CC[N@H+](CCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)C(C)C ZINC001547596943 1072308001 /nfs/dbraw/zinc/30/80/01/1072308001.db2.gz AUTVRMFWJJACJR-OAHLLOKOSA-N 1 0 440.574 0.818 20 0 ICADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001547599485 1072308684 /nfs/dbraw/zinc/30/86/84/1072308684.db2.gz HNCUVLHDUOCYGJ-FQEVSTJZSA-N 1 0 437.566 0.891 20 0 ICADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001547599486 1072308738 /nfs/dbraw/zinc/30/87/38/1072308738.db2.gz HNCUVLHDUOCYGJ-HXUWFJFHSA-N 1 0 437.566 0.891 20 0 ICADRO 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444.602 0.347 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001547636974 1072319531 /nfs/dbraw/zinc/31/95/31/1072319531.db2.gz XHOQMAOUGROWAS-BPKGMFCQSA-N 1 0 444.602 0.347 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001547636977 1072319447 /nfs/dbraw/zinc/31/94/47/1072319447.db2.gz XHOQMAOUGROWAS-JSRQGNBESA-N 1 0 444.602 0.347 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001547636979 1072319467 /nfs/dbraw/zinc/31/94/67/1072319467.db2.gz XHOQMAOUGROWAS-QUSNUVHPSA-N 1 0 444.602 0.347 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001547636982 1072319133 /nfs/dbraw/zinc/31/91/33/1072319133.db2.gz XHOQMAOUGROWAS-ZOFXXKQRSA-N 1 0 444.602 0.347 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001547642555 1072320215 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1072320239 /nfs/dbraw/zinc/32/02/39/1072320239.db2.gz DQRWZIQIYCJBRM-LNLFQRSKSA-N 1 0 446.600 0.312 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644189 1072319958 /nfs/dbraw/zinc/31/99/58/1072319958.db2.gz DQRWZIQIYCJBRM-ZIFCJYIRSA-N 1 0 446.600 0.312 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@@H]1C ZINC001547645258 1072319915 /nfs/dbraw/zinc/31/99/15/1072319915.db2.gz GYLJFZYYFROJIF-HRCADAONSA-N 1 0 444.602 0.301 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@@H]1C ZINC001547645259 1072320040 /nfs/dbraw/zinc/32/00/40/1072320040.db2.gz GYLJFZYYFROJIF-JYJNAYRXSA-N 1 0 444.602 0.301 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@H]1C ZINC001547645260 1072319936 /nfs/dbraw/zinc/31/99/36/1072319936.db2.gz GYLJFZYYFROJIF-OWCLPIDISA-N 1 0 444.602 0.301 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@H]1C 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CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001547677122 1072324638 /nfs/dbraw/zinc/32/46/38/1072324638.db2.gz SRGQJONXBJBGHU-HUUCEWRRSA-N 1 0 432.529 0.922 20 0 ICADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001547677123 1072324804 /nfs/dbraw/zinc/32/48/04/1072324804.db2.gz SRGQJONXBJBGHU-LSDHHAIUSA-N 1 0 432.529 0.922 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001547677242 1072325452 /nfs/dbraw/zinc/32/54/52/1072325452.db2.gz VCYWUBAAXILLBH-ARFHVFGLSA-N 1 0 425.555 0.664 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001547677243 1072325671 /nfs/dbraw/zinc/32/56/71/1072325671.db2.gz VCYWUBAAXILLBH-BZUAXINKSA-N 1 0 425.555 0.664 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001547677244 1072325682 /nfs/dbraw/zinc/32/56/82/1072325682.db2.gz VCYWUBAAXILLBH-HRCADAONSA-N 1 0 425.555 0.664 20 0 ICADRO 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CC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001547679278 1072325316 /nfs/dbraw/zinc/32/53/16/1072325316.db2.gz MCOSBZBGEJSXID-IBGZPJMESA-N 1 0 444.584 0.919 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001547679284 1072325492 /nfs/dbraw/zinc/32/54/92/1072325492.db2.gz MCOSBZBGEJSXID-LJQANCHMSA-N 1 0 444.584 0.919 20 0 ICADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001547679396 1072325254 /nfs/dbraw/zinc/32/52/54/1072325254.db2.gz NASDFGQVQGXGMV-FQEVSTJZSA-N 1 0 440.596 0.958 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001547679397 1072325630 /nfs/dbraw/zinc/32/56/30/1072325630.db2.gz NASDFGQVQGXGMV-HXUWFJFHSA-N 1 0 440.596 0.958 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682964 1072325388 /nfs/dbraw/zinc/32/53/88/1072325388.db2.gz VSNNFQXTJODLOG-CABCVRRESA-N 1 0 427.575 0.041 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682965 1072325692 /nfs/dbraw/zinc/32/56/92/1072325692.db2.gz VSNNFQXTJODLOG-GJZGRUSLSA-N 1 0 427.575 0.041 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682966 1072325579 /nfs/dbraw/zinc/32/55/79/1072325579.db2.gz VSNNFQXTJODLOG-HUUCEWRRSA-N 1 0 427.575 0.041 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682967 1072325294 /nfs/dbraw/zinc/32/52/94/1072325294.db2.gz VSNNFQXTJODLOG-LSDHHAIUSA-N 1 0 427.575 0.041 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001547684640 1072325273 /nfs/dbraw/zinc/32/52/73/1072325273.db2.gz BPKNHUWDCONDAQ-KRWDZBQOSA-N 1 0 436.586 0.635 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001547684641 1072325527 /nfs/dbraw/zinc/32/55/27/1072325527.db2.gz BPKNHUWDCONDAQ-QGZVFWFLSA-N 1 0 436.586 0.635 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001547684804 1072325339 /nfs/dbraw/zinc/32/53/39/1072325339.db2.gz FWQRLUCZGPOBGE-BPQIPLTHSA-N 1 0 431.541 0.913 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001547684805 1072325699 /nfs/dbraw/zinc/32/56/99/1072325699.db2.gz FWQRLUCZGPOBGE-KBAYOESNSA-N 1 0 431.541 0.913 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 ZINC001547685298 1072326079 /nfs/dbraw/zinc/32/60/79/1072326079.db2.gz FGGMGJZHEPUDNY-KRWDZBQOSA-N 1 0 447.584 0.746 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 ZINC001547685299 1072325919 /nfs/dbraw/zinc/32/59/19/1072325919.db2.gz FGGMGJZHEPUDNY-QGZVFWFLSA-N 1 0 447.584 0.746 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001547685976 1072326054 /nfs/dbraw/zinc/32/60/54/1072326054.db2.gz CFVOSDKJENTJJF-GOSISDBHSA-N 1 0 444.588 0.686 20 0 ICADRO 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CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC001547696838 1072328374 /nfs/dbraw/zinc/32/83/74/1072328374.db2.gz YAAYFGDHVCAVOT-MSOLQXFVSA-N 1 0 447.584 0.525 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC001547696840 1072328458 /nfs/dbraw/zinc/32/84/58/1072328458.db2.gz YAAYFGDHVCAVOT-QZTJIDSGSA-N 1 0 447.584 0.525 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC001547696842 1072328299 /nfs/dbraw/zinc/32/82/99/1072328299.db2.gz YAAYFGDHVCAVOT-ROUUACIJSA-N 1 0 447.584 0.525 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC001547696843 1072328521 /nfs/dbraw/zinc/32/85/21/1072328521.db2.gz YAAYFGDHVCAVOT-ZWKOTPCHSA-N 1 0 447.584 0.525 20 0 ICADRO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)CCOC)CC1=O ZINC001547697173 1072328320 /nfs/dbraw/zinc/32/83/20/1072328320.db2.gz DXXINJWBXNJWPW-UHFFFAOYSA-N 1 0 432.573 0.777 20 0 ICADRO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1=O ZINC001547699194 1072329220 /nfs/dbraw/zinc/32/92/20/1072329220.db2.gz FIBNZDCYTMRHKZ-GOSISDBHSA-N 1 0 448.616 0.501 20 0 ICADRO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1=O ZINC001547699195 1072328824 /nfs/dbraw/zinc/32/88/24/1072328824.db2.gz FIBNZDCYTMRHKZ-SFHVURJKSA-N 1 0 448.616 0.501 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001547699460 1072328859 /nfs/dbraw/zinc/32/88/59/1072328859.db2.gz APZLCIRXXGADCJ-KRWDZBQOSA-N 1 0 435.598 0.847 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001547699461 1072329155 /nfs/dbraw/zinc/32/91/55/1072329155.db2.gz APZLCIRXXGADCJ-QGZVFWFLSA-N 1 0 435.598 0.847 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547699472 1072329117 /nfs/dbraw/zinc/32/91/17/1072329117.db2.gz ATZVWUMAVZSYLM-IBGZPJMESA-N 1 0 443.600 0.530 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547699473 1072328900 /nfs/dbraw/zinc/32/89/00/1072328900.db2.gz ATZVWUMAVZSYLM-LJQANCHMSA-N 1 0 443.600 0.530 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001547699474 1072328779 /nfs/dbraw/zinc/32/87/79/1072328779.db2.gz AUEDKAZTFIRMQD-KRWDZBQOSA-N 1 0 439.630 0.653 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001547699475 1072329197 /nfs/dbraw/zinc/32/91/97/1072329197.db2.gz AUEDKAZTFIRMQD-QGZVFWFLSA-N 1 0 439.630 0.653 20 0 ICADRO CCN(C1CCN(c2nnc(C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC001547699644 1072329006 /nfs/dbraw/zinc/32/90/06/1072329006.db2.gz IBGSEKMWKGFZHR-KRWDZBQOSA-N 1 0 441.646 0.863 20 0 ICADRO CCN(C1CCN(c2nnc(C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC001547699650 1072329170 /nfs/dbraw/zinc/32/91/70/1072329170.db2.gz IBGSEKMWKGFZHR-QGZVFWFLSA-N 1 0 441.646 0.863 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCS(=O)CC2)CC1 ZINC001547699883 1072329067 /nfs/dbraw/zinc/32/90/67/1072329067.db2.gz JXXYQEFWQGZJRR-MSOLQXFVSA-N 1 0 442.630 0.597 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCS(=O)CC2)CC1 ZINC001547699885 1072328809 /nfs/dbraw/zinc/32/88/09/1072328809.db2.gz JXXYQEFWQGZJRR-QZTJIDSGSA-N 1 0 442.630 0.597 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCS(=O)CC2)CC1 ZINC001547699887 1072328976 /nfs/dbraw/zinc/32/89/76/1072328976.db2.gz JXXYQEFWQGZJRR-ROUUACIJSA-N 1 0 442.630 0.597 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCS(=O)CC2)CC1 ZINC001547699889 1072329093 /nfs/dbraw/zinc/32/90/93/1072329093.db2.gz JXXYQEFWQGZJRR-ZWKOTPCHSA-N 1 0 442.630 0.597 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700306 1072328941 /nfs/dbraw/zinc/32/89/41/1072328941.db2.gz FHHURCGEXSGPFU-AEFFLSMTSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700307 1072329630 /nfs/dbraw/zinc/32/96/30/1072329630.db2.gz FHHURCGEXSGPFU-FUHWJXTLSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700308 1072329690 /nfs/dbraw/zinc/32/96/90/1072329690.db2.gz FHHURCGEXSGPFU-SJLPKXTDSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700309 1072329510 /nfs/dbraw/zinc/32/95/10/1072329510.db2.gz FHHURCGEXSGPFU-WMZOPIPTSA-N 1 0 446.600 0.347 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547700439 1072329620 /nfs/dbraw/zinc/32/96/20/1072329620.db2.gz NWHFYJDLRXKQDS-GBESFXJTSA-N 1 0 449.600 0.390 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547700441 1072329669 /nfs/dbraw/zinc/32/96/69/1072329669.db2.gz NWHFYJDLRXKQDS-QRVBRYPASA-N 1 0 449.600 0.390 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001547700460 1072329644 /nfs/dbraw/zinc/32/96/44/1072329644.db2.gz OAYKHPHFDDYKLQ-QZTJIDSGSA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001547700464 1072329885 /nfs/dbraw/zinc/32/98/85/1072329885.db2.gz OAYKHPHFDDYKLQ-ZWKOTPCHSA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)C2)CC1 ZINC001547700757 1072329475 /nfs/dbraw/zinc/32/94/75/1072329475.db2.gz PARPUACBUMHXHL-BBWFWOEESA-N 1 0 427.619 0.761 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)C2)CC1 ZINC001547700760 1072329791 /nfs/dbraw/zinc/32/97/91/1072329791.db2.gz PARPUACBUMHXHL-BRWVUGGUSA-N 1 0 427.619 0.761 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)C2)CC1 ZINC001547700762 1072329587 /nfs/dbraw/zinc/32/95/87/1072329587.db2.gz PARPUACBUMHXHL-GVDBMIGSSA-N 1 0 427.619 0.761 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)C2)CC1 ZINC001547700764 1072329763 /nfs/dbraw/zinc/32/97/63/1072329763.db2.gz PARPUACBUMHXHL-ZACQAIPSSA-N 1 0 427.619 0.761 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547700924 1072329656 /nfs/dbraw/zinc/32/96/56/1072329656.db2.gz ILZOQSYERAAVSA-KRWDZBQOSA-N 1 0 442.572 0.223 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547700930 1072329737 /nfs/dbraw/zinc/32/97/37/1072329737.db2.gz ILZOQSYERAAVSA-QGZVFWFLSA-N 1 0 442.572 0.223 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001547701039 1072329701 /nfs/dbraw/zinc/32/97/01/1072329701.db2.gz MMNSQQZZVNKOPE-HNNXBMFYSA-N 1 0 432.960 0.956 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001547701042 1072329605 /nfs/dbraw/zinc/32/96/05/1072329605.db2.gz MMNSQQZZVNKOPE-OAHLLOKOSA-N 1 0 432.960 0.956 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001547701159 1072329818 /nfs/dbraw/zinc/32/98/18/1072329818.db2.gz JMYGPAWENPNYRL-DLBZAZTESA-N 1 0 431.589 0.523 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001547701161 1072329857 /nfs/dbraw/zinc/32/98/57/1072329857.db2.gz JMYGPAWENPNYRL-IAGOWNOFSA-N 1 0 431.589 0.523 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001547701163 1072329542 /nfs/dbraw/zinc/32/95/42/1072329542.db2.gz JMYGPAWENPNYRL-IRXDYDNUSA-N 1 0 431.589 0.523 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001547701164 1072329567 /nfs/dbraw/zinc/32/95/67/1072329567.db2.gz JMYGPAWENPNYRL-SJORKVTESA-N 1 0 431.589 0.523 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001547701474 1072329722 /nfs/dbraw/zinc/32/97/22/1072329722.db2.gz UVGZZKIFSIGBHD-KRWDZBQOSA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001547701475 1072330342 /nfs/dbraw/zinc/33/03/42/1072330342.db2.gz UVGZZKIFSIGBHD-QGZVFWFLSA-N 1 0 446.600 0.242 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547701842 1072330468 /nfs/dbraw/zinc/33/04/68/1072330468.db2.gz MDWGPWQLHAIQGW-GOSISDBHSA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547701843 1072330585 /nfs/dbraw/zinc/33/05/85/1072330585.db2.gz MDWGPWQLHAIQGW-SFHVURJKSA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547702244 1072330566 /nfs/dbraw/zinc/33/05/66/1072330566.db2.gz NWHKXGXSXXCGAK-KRWDZBQOSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547702245 1072330430 /nfs/dbraw/zinc/33/04/30/1072330430.db2.gz NWHKXGXSXXCGAK-QGZVFWFLSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547702297 1072330139 /nfs/dbraw/zinc/33/01/39/1072330139.db2.gz OKJYSMSXZPZNEZ-DLBZAZTESA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547702301 1072330609 /nfs/dbraw/zinc/33/06/09/1072330609.db2.gz OKJYSMSXZPZNEZ-IAGOWNOFSA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547702303 1072330114 /nfs/dbraw/zinc/33/01/14/1072330114.db2.gz OKJYSMSXZPZNEZ-IRXDYDNUSA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547702305 1072330522 /nfs/dbraw/zinc/33/05/22/1072330522.db2.gz OKJYSMSXZPZNEZ-SJORKVTESA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOCC2)CC1 ZINC001547702344 1072330636 /nfs/dbraw/zinc/33/06/36/1072330636.db2.gz ZKYLFSBTDQMWNK-KRWDZBQOSA-N 1 0 428.541 0.788 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOCC2)CC1 ZINC001547702346 1072330163 /nfs/dbraw/zinc/33/01/63/1072330163.db2.gz ZKYLFSBTDQMWNK-QGZVFWFLSA-N 1 0 428.541 0.788 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001547702355 1072330198 /nfs/dbraw/zinc/33/01/98/1072330198.db2.gz ZOMIKPBRACRQAQ-FQEVSTJZSA-N 1 0 446.644 0.747 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001547702358 1072330245 /nfs/dbraw/zinc/33/02/45/1072330245.db2.gz ZOMIKPBRACRQAQ-HXUWFJFHSA-N 1 0 446.644 0.747 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547702790 1072330654 /nfs/dbraw/zinc/33/06/54/1072330654.db2.gz SDLVARSYXGBKKU-HKUYNNGSSA-N 1 0 441.584 0.866 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547702791 1072330397 /nfs/dbraw/zinc/33/03/97/1072330397.db2.gz SDLVARSYXGBKKU-IEBWSBKVSA-N 1 0 441.584 0.866 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547702792 1072330174 /nfs/dbraw/zinc/33/01/74/1072330174.db2.gz SDLVARSYXGBKKU-MJGOQNOKSA-N 1 0 441.584 0.866 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547702793 1072330548 /nfs/dbraw/zinc/33/05/48/1072330548.db2.gz SDLVARSYXGBKKU-PKOBYXMFSA-N 1 0 441.584 0.866 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547703068 1072330495 /nfs/dbraw/zinc/33/04/95/1072330495.db2.gz XSINXTYZOSWLJN-FGTMMUONSA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547703069 1072330365 /nfs/dbraw/zinc/33/03/65/1072330365.db2.gz XSINXTYZOSWLJN-KURKYZTESA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547703070 1072330304 /nfs/dbraw/zinc/33/03/04/1072330304.db2.gz XSINXTYZOSWLJN-KZNAEPCWSA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547703071 1072331350 /nfs/dbraw/zinc/33/13/50/1072331350.db2.gz XSINXTYZOSWLJN-SQNIBIBYSA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547703264 1072330985 /nfs/dbraw/zinc/33/09/85/1072330985.db2.gz BWEVYCIMVSWWQQ-IBGZPJMESA-N 1 0 435.617 0.798 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547703265 1072331337 /nfs/dbraw/zinc/33/13/37/1072331337.db2.gz BWEVYCIMVSWWQQ-LJQANCHMSA-N 1 0 435.617 0.798 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547703784 1072331325 /nfs/dbraw/zinc/33/13/25/1072331325.db2.gz JMKHGAHBDDYTCT-GOSISDBHSA-N 1 0 447.609 0.525 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547703785 1072330959 /nfs/dbraw/zinc/33/09/59/1072330959.db2.gz JMKHGAHBDDYTCT-SFHVURJKSA-N 1 0 447.609 0.525 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703786 1072331140 /nfs/dbraw/zinc/33/11/40/1072331140.db2.gz JNYLYYKVJDTUOV-HKUYNNGSSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703787 1072331397 /nfs/dbraw/zinc/33/13/97/1072331397.db2.gz JNYLYYKVJDTUOV-IEBWSBKVSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703788 1072331105 /nfs/dbraw/zinc/33/11/05/1072331105.db2.gz JNYLYYKVJDTUOV-MJGOQNOKSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703789 1072331254 /nfs/dbraw/zinc/33/12/54/1072331254.db2.gz JNYLYYKVJDTUOV-PKOBYXMFSA-N 1 0 433.601 0.913 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCn2cccn2)CC1 ZINC001547703884 1072331223 /nfs/dbraw/zinc/33/12/23/1072331223.db2.gz CGUOCHPBAHUEOA-IBGZPJMESA-N 1 0 443.600 0.759 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCn2cccn2)CC1 ZINC001547703886 1072331279 /nfs/dbraw/zinc/33/12/79/1072331279.db2.gz CGUOCHPBAHUEOA-LJQANCHMSA-N 1 0 443.600 0.759 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547703889 1072331183 /nfs/dbraw/zinc/33/11/83/1072331183.db2.gz KMAGOMGGTKATJR-GOSISDBHSA-N 1 0 426.569 0.568 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547703890 1072331162 /nfs/dbraw/zinc/33/11/62/1072331162.db2.gz KMAGOMGGTKATJR-SFHVURJKSA-N 1 0 426.569 0.568 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547703960 1072331204 /nfs/dbraw/zinc/33/12/04/1072331204.db2.gz DIBNKPNICXRWTH-KRWDZBQOSA-N 1 0 439.630 0.338 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547703961 1072331367 /nfs/dbraw/zinc/33/13/67/1072331367.db2.gz DIBNKPNICXRWTH-QGZVFWFLSA-N 1 0 439.630 0.338 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547704670 1072331233 /nfs/dbraw/zinc/33/12/33/1072331233.db2.gz LOMKHJZXBMTFGT-GOSISDBHSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547704671 1072331062 /nfs/dbraw/zinc/33/10/62/1072331062.db2.gz LOMKHJZXBMTFGT-SFHVURJKSA-N 1 0 443.600 0.796 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547704896 1072331299 /nfs/dbraw/zinc/33/12/99/1072331299.db2.gz SOPMUQUTBZKMAS-FDDCHVKYSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547704897 1072331026 /nfs/dbraw/zinc/33/10/26/1072331026.db2.gz SOPMUQUTBZKMAS-JPYJTQIMSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547704898 1072331381 /nfs/dbraw/zinc/33/13/81/1072331381.db2.gz SOPMUQUTBZKMAS-MBSDFSHPSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547704899 1072332027 /nfs/dbraw/zinc/33/20/27/1072332027.db2.gz SOPMUQUTBZKMAS-WZONZLPQSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547704904 1072331875 /nfs/dbraw/zinc/33/18/75/1072331875.db2.gz SOWPQHMPGVNYOR-INIZCTEOSA-N 1 0 446.625 0.938 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547704905 1072331651 /nfs/dbraw/zinc/33/16/51/1072331651.db2.gz SOWPQHMPGVNYOR-MRXNPFEDSA-N 1 0 446.625 0.938 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001547704960 1072331856 /nfs/dbraw/zinc/33/18/56/1072331856.db2.gz UGRBOABMWFSBPR-HOJAQTOUSA-N 1 0 449.600 0.149 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001547704961 1072331720 /nfs/dbraw/zinc/33/17/20/1072331720.db2.gz UGRBOABMWFSBPR-MISYRCLQSA-N 1 0 449.600 0.149 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001547704962 1072331818 /nfs/dbraw/zinc/33/18/18/1072331818.db2.gz UGRBOABMWFSBPR-RLLQIKCJSA-N 1 0 449.600 0.149 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001547704963 1072331961 /nfs/dbraw/zinc/33/19/61/1072331961.db2.gz UGRBOABMWFSBPR-YZGWKJHDSA-N 1 0 449.600 0.149 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001547705010 1072332153 /nfs/dbraw/zinc/33/21/53/1072332153.db2.gz NUPRGVXWKROWCG-KRWDZBQOSA-N 1 0 441.646 0.683 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001547705011 1072331744 /nfs/dbraw/zinc/33/17/44/1072331744.db2.gz NUPRGVXWKROWCG-QGZVFWFLSA-N 1 0 441.646 0.683 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705300 1072332107 /nfs/dbraw/zinc/33/21/07/1072332107.db2.gz WMLZLCKOFBCPAO-MOPGFXCFSA-N 1 0 449.600 0.103 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705301 1072331793 /nfs/dbraw/zinc/33/17/93/1072331793.db2.gz WMLZLCKOFBCPAO-OALUTQOASA-N 1 0 449.600 0.103 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705302 1072331608 /nfs/dbraw/zinc/33/16/08/1072331608.db2.gz WMLZLCKOFBCPAO-RBUKOAKNSA-N 1 0 449.600 0.103 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705303 1072331940 /nfs/dbraw/zinc/33/19/40/1072331940.db2.gz WMLZLCKOFBCPAO-RTBURBONSA-N 1 0 449.600 0.103 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547705368 1072331837 /nfs/dbraw/zinc/33/18/37/1072331837.db2.gz YBLSDVJJTIHUFO-FQEVSTJZSA-N 1 0 448.660 0.713 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547705370 1072332068 /nfs/dbraw/zinc/33/20/68/1072332068.db2.gz YBLSDVJJTIHUFO-HXUWFJFHSA-N 1 0 448.660 0.713 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547705373 1072331898 /nfs/dbraw/zinc/33/18/98/1072331898.db2.gz RLPRPKQEKJASCE-MSOLQXFVSA-N 1 0 447.584 0.426 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547705376 1072331768 /nfs/dbraw/zinc/33/17/68/1072331768.db2.gz RLPRPKQEKJASCE-QZTJIDSGSA-N 1 0 447.584 0.426 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547705378 1072331690 /nfs/dbraw/zinc/33/16/90/1072331690.db2.gz RLPRPKQEKJASCE-ROUUACIJSA-N 1 0 447.584 0.426 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547705379 1072331920 /nfs/dbraw/zinc/33/19/20/1072331920.db2.gz RLPRPKQEKJASCE-ZWKOTPCHSA-N 1 0 447.584 0.426 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001547705450 1072332849 /nfs/dbraw/zinc/33/28/49/1072332849.db2.gz SNTZRIXEHNYMJH-BHIYHBOVSA-N 1 0 434.585 0.617 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001547705451 1072332494 /nfs/dbraw/zinc/33/24/94/1072332494.db2.gz SNTZRIXEHNYMJH-QXAKKESOSA-N 1 0 434.585 0.617 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)CC1 ZINC001547705486 1072332001 /nfs/dbraw/zinc/33/20/01/1072332001.db2.gz YLYIJBQYANPLQK-DLBZAZTESA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)CC1 ZINC001547705487 1072332455 /nfs/dbraw/zinc/33/24/55/1072332455.db2.gz YLYIJBQYANPLQK-IAGOWNOFSA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)CC1 ZINC001547705488 1072332954 /nfs/dbraw/zinc/33/29/54/1072332954.db2.gz YLYIJBQYANPLQK-IRXDYDNUSA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)CC1 ZINC001547705489 1072332642 /nfs/dbraw/zinc/33/26/42/1072332642.db2.gz YLYIJBQYANPLQK-SJORKVTESA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547705875 1072332689 /nfs/dbraw/zinc/33/26/89/1072332689.db2.gz BLEZHVJDUZBTJB-QZTJIDSGSA-N 1 0 434.589 0.617 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547705876 1072332468 /nfs/dbraw/zinc/33/24/68/1072332468.db2.gz BLEZHVJDUZBTJB-ZWKOTPCHSA-N 1 0 434.589 0.617 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547706160 1072332820 /nfs/dbraw/zinc/33/28/20/1072332820.db2.gz ZVBWSWAEVVOMTO-MSOLQXFVSA-N 1 0 446.600 0.093 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547706161 1072332524 /nfs/dbraw/zinc/33/25/24/1072332524.db2.gz ZVBWSWAEVVOMTO-QZTJIDSGSA-N 1 0 446.600 0.093 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547706162 1072332713 /nfs/dbraw/zinc/33/27/13/1072332713.db2.gz ZVBWSWAEVVOMTO-ROUUACIJSA-N 1 0 446.600 0.093 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547706163 1072332899 /nfs/dbraw/zinc/33/28/99/1072332899.db2.gz ZVBWSWAEVVOMTO-ZWKOTPCHSA-N 1 0 446.600 0.093 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547706846 1072332965 /nfs/dbraw/zinc/33/29/65/1072332965.db2.gz QEQLBKJHRDVFKW-KSZLIROESA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547706847 1072333514 /nfs/dbraw/zinc/33/35/14/1072333514.db2.gz QEQLBKJHRDVFKW-KURKYZTESA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547706848 1072333341 /nfs/dbraw/zinc/33/33/41/1072333341.db2.gz QEQLBKJHRDVFKW-KZNAEPCWSA-N 1 0 435.573 0.107 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547706849 1072333482 /nfs/dbraw/zinc/33/34/82/1072333482.db2.gz QEQLBKJHRDVFKW-RCCFBDPRSA-N 1 0 435.573 0.107 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@@H]1C ZINC001547707198 1072333551 /nfs/dbraw/zinc/33/35/51/1072333551.db2.gz DWTFJTHJTFAEIE-KBPBESRZSA-N 1 0 440.574 0.743 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@H]1C ZINC001547707199 1072333389 /nfs/dbraw/zinc/33/33/89/1072333389.db2.gz DWTFJTHJTFAEIE-KGLIPLIRSA-N 1 0 440.574 0.743 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@@H]1C ZINC001547707200 1072333354 /nfs/dbraw/zinc/33/33/54/1072333354.db2.gz DWTFJTHJTFAEIE-UONOGXRCSA-N 1 0 440.574 0.743 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@H]1C ZINC001547707201 1072333468 /nfs/dbraw/zinc/33/34/68/1072333468.db2.gz DWTFJTHJTFAEIE-ZIAGYGMSSA-N 1 0 440.574 0.743 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001547707580 1072333442 /nfs/dbraw/zinc/33/34/42/1072333442.db2.gz HOXISHGKEKHYGH-CYJAXWMASA-N 1 0 428.603 0.970 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001547707582 1072333428 /nfs/dbraw/zinc/33/34/28/1072333428.db2.gz HOXISHGKEKHYGH-IUVQAAGXSA-N 1 0 428.603 0.970 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001547707584 1072333575 /nfs/dbraw/zinc/33/35/75/1072333575.db2.gz HOXISHGKEKHYGH-OAFZBRQQSA-N 1 0 428.603 0.970 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001547707586 1072333307 /nfs/dbraw/zinc/33/33/07/1072333307.db2.gz HOXISHGKEKHYGH-PASDCYSWSA-N 1 0 428.603 0.970 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001547707748 1072333528 /nfs/dbraw/zinc/33/35/28/1072333528.db2.gz HSGDWXNNXAFKQI-CABCVRRESA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001547707753 1072333371 /nfs/dbraw/zinc/33/33/71/1072333371.db2.gz HSGDWXNNXAFKQI-GJZGRUSLSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001547707754 1072333322 /nfs/dbraw/zinc/33/33/22/1072333322.db2.gz HSGDWXNNXAFKQI-HUUCEWRRSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001547707756 1072333632 /nfs/dbraw/zinc/33/36/32/1072333632.db2.gz HSGDWXNNXAFKQI-LSDHHAIUSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001547707782 1072333279 /nfs/dbraw/zinc/33/32/79/1072333279.db2.gz HYIRGVBZRAZZIW-ILXRZTDVSA-N 1 0 441.602 0.333 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001547707786 1072333410 /nfs/dbraw/zinc/33/34/10/1072333410.db2.gz HYIRGVBZRAZZIW-KKUMJFAQSA-N 1 0 441.602 0.333 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001547707788 1072333248 /nfs/dbraw/zinc/33/32/48/1072333248.db2.gz HYIRGVBZRAZZIW-QLFBSQMISA-N 1 0 441.602 0.333 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001547707789 1072333490 /nfs/dbraw/zinc/33/34/90/1072333490.db2.gz HYIRGVBZRAZZIW-SOUVJXGZSA-N 1 0 441.602 0.333 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001547708454 1072334087 /nfs/dbraw/zinc/33/40/87/1072334087.db2.gz NOGZBRLCWYNOGJ-HNNXBMFYSA-N 1 0 426.525 0.982 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001547708455 1072334592 /nfs/dbraw/zinc/33/45/92/1072334592.db2.gz NOGZBRLCWYNOGJ-OAHLLOKOSA-N 1 0 426.525 0.982 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001547711402 1072334566 /nfs/dbraw/zinc/33/45/66/1072334566.db2.gz GDPVBGIMFWSVOF-INIZCTEOSA-N 1 0 434.566 0.810 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001547711403 1072335172 /nfs/dbraw/zinc/33/51/72/1072335172.db2.gz GDPVBGIMFWSVOF-MRXNPFEDSA-N 1 0 434.566 0.810 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547711488 1072334953 /nfs/dbraw/zinc/33/49/53/1072334953.db2.gz HTINGFMBFNNGIK-INIZCTEOSA-N 1 0 438.540 0.977 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C[C@H]1C ZINC001547711491 1072335007 /nfs/dbraw/zinc/33/50/07/1072335007.db2.gz HTINGFMBFNNGIK-MRXNPFEDSA-N 1 0 438.540 0.977 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C[C@@H]1C ZINC001547713040 1072335225 /nfs/dbraw/zinc/33/52/25/1072335225.db2.gz ALPLASQCQKFYBL-HNNXBMFYSA-N 1 0 448.597 0.905 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C[C@H]1C ZINC001547713041 1072335153 /nfs/dbraw/zinc/33/51/53/1072335153.db2.gz ALPLASQCQKFYBL-OAHLLOKOSA-N 1 0 448.597 0.905 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)N(C)C)C[C@@H]1C ZINC001547713758 1072335269 /nfs/dbraw/zinc/33/52/69/1072335269.db2.gz GOLGQKAUMSOFIE-HNNXBMFYSA-N 1 0 438.536 0.811 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)N(C)C)C[C@H]1C ZINC001547713759 1072335137 /nfs/dbraw/zinc/33/51/37/1072335137.db2.gz GOLGQKAUMSOFIE-OAHLLOKOSA-N 1 0 438.536 0.811 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001547716152 1072334978 /nfs/dbraw/zinc/33/49/78/1072334978.db2.gz RRBLTWANWIVSQC-CABCVRRESA-N 1 0 427.575 0.087 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001547716155 1072335929 /nfs/dbraw/zinc/33/59/29/1072335929.db2.gz RRBLTWANWIVSQC-GJZGRUSLSA-N 1 0 427.575 0.087 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001547716157 1072335828 /nfs/dbraw/zinc/33/58/28/1072335828.db2.gz RRBLTWANWIVSQC-HUUCEWRRSA-N 1 0 427.575 0.087 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001547716159 1072335659 /nfs/dbraw/zinc/33/56/59/1072335659.db2.gz RRBLTWANWIVSQC-LSDHHAIUSA-N 1 0 427.575 0.087 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001547717103 1072335911 /nfs/dbraw/zinc/33/59/11/1072335911.db2.gz GMOUYORFAOEECI-KRWDZBQOSA-N 1 0 438.602 0.609 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547717115 1072335717 /nfs/dbraw/zinc/33/57/17/1072335717.db2.gz GMOUYORFAOEECI-QGZVFWFLSA-N 1 0 438.602 0.609 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001547718196 1072335957 /nfs/dbraw/zinc/33/59/57/1072335957.db2.gz MJSCKXSHHUROMB-INIZCTEOSA-N 1 0 446.581 0.596 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001547718197 1072335674 /nfs/dbraw/zinc/33/56/74/1072335674.db2.gz MJSCKXSHHUROMB-MRXNPFEDSA-N 1 0 446.581 0.596 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@@H]1C ZINC001547719202 1072336014 /nfs/dbraw/zinc/33/60/14/1072336014.db2.gz PMKHLTZFXUDDHR-DOTOQJQBSA-N 1 0 426.587 0.942 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@H]1C ZINC001547719203 1072335862 /nfs/dbraw/zinc/33/58/62/1072335862.db2.gz PMKHLTZFXUDDHR-NVXWUHKLSA-N 1 0 426.587 0.942 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@@H]1C ZINC001547719204 1072335740 /nfs/dbraw/zinc/33/57/40/1072335740.db2.gz PMKHLTZFXUDDHR-RDJZCZTQSA-N 1 0 426.587 0.942 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@H]1C ZINC001547719205 1072336118 /nfs/dbraw/zinc/33/61/18/1072336118.db2.gz PMKHLTZFXUDDHR-WBVHZDCISA-N 1 0 426.587 0.942 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@@H]1C ZINC001547719986 1072335885 /nfs/dbraw/zinc/33/58/85/1072335885.db2.gz UASYLCBDMJBRPO-DOTOQJQBSA-N 1 0 438.554 0.783 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@H]1C ZINC001547719987 1072336723 /nfs/dbraw/zinc/33/67/23/1072336723.db2.gz UASYLCBDMJBRPO-NVXWUHKLSA-N 1 0 438.554 0.783 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@@H]1C ZINC001547719988 1072336592 /nfs/dbraw/zinc/33/65/92/1072336592.db2.gz UASYLCBDMJBRPO-RDJZCZTQSA-N 1 0 438.554 0.783 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@H]1C ZINC001547719989 1072336803 /nfs/dbraw/zinc/33/68/03/1072336803.db2.gz UASYLCBDMJBRPO-WBVHZDCISA-N 1 0 438.554 0.783 20 0 ICADRO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001547721762 1072336893 /nfs/dbraw/zinc/33/68/93/1072336893.db2.gz BEZFMCRJYIAFOY-GOSISDBHSA-N 1 0 446.600 0.209 20 0 ICADRO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001547721763 1072336501 /nfs/dbraw/zinc/33/65/01/1072336501.db2.gz BEZFMCRJYIAFOY-SFHVURJKSA-N 1 0 446.600 0.209 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722046 1072336751 /nfs/dbraw/zinc/33/67/51/1072336751.db2.gz IQNBDRGZJPCLHV-HTAPYJJXSA-N 1 0 446.600 0.111 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722047 1072336459 /nfs/dbraw/zinc/33/64/59/1072336459.db2.gz IQNBDRGZJPCLHV-JTSKRJEESA-N 1 0 446.600 0.111 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722048 1072336780 /nfs/dbraw/zinc/33/67/80/1072336780.db2.gz IQNBDRGZJPCLHV-VGOFRKELSA-N 1 0 446.600 0.111 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722049 1072336620 /nfs/dbraw/zinc/33/66/20/1072336620.db2.gz IQNBDRGZJPCLHV-VGSWGCGISA-N 1 0 446.600 0.111 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)C2)CC1 ZINC001547722162 1072336552 /nfs/dbraw/zinc/33/65/52/1072336552.db2.gz LHNVZUVPJBLIPI-GOSISDBHSA-N 1 0 433.601 0.651 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)C2)CC1 ZINC001547722163 1072336832 /nfs/dbraw/zinc/33/68/32/1072336832.db2.gz LHNVZUVPJBLIPI-SFHVURJKSA-N 1 0 433.601 0.651 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)C2)CC1 ZINC001547722204 1072336862 /nfs/dbraw/zinc/33/68/62/1072336862.db2.gz LYJWWZRUXQTJJH-GOSISDBHSA-N 1 0 433.601 0.938 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)C2)CC1 ZINC001547722205 1072336522 /nfs/dbraw/zinc/33/65/22/1072336522.db2.gz LYJWWZRUXQTJJH-SFHVURJKSA-N 1 0 433.601 0.938 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)NC(C)C)C2)CC1 ZINC001547722759 1072336652 /nfs/dbraw/zinc/33/66/52/1072336652.db2.gz XSDKKKNCVAKCDW-GOSISDBHSA-N 1 0 448.616 0.547 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)NC(C)C)C2)CC1 ZINC001547722761 1072336693 /nfs/dbraw/zinc/33/66/93/1072336693.db2.gz XSDKKKNCVAKCDW-SFHVURJKSA-N 1 0 448.616 0.547 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCC4)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547722774 1072336436 /nfs/dbraw/zinc/33/64/36/1072336436.db2.gz ANCVAMKRFCULDX-GOSISDBHSA-N 1 0 439.630 0.701 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CCC4)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547722776 1072337542 /nfs/dbraw/zinc/33/75/42/1072337542.db2.gz ANCVAMKRFCULDX-SFHVURJKSA-N 1 0 439.630 0.701 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547722795 1072337697 /nfs/dbraw/zinc/33/76/97/1072337697.db2.gz YERUMVNUJHKFKT-AOIWGVFYSA-N 1 0 436.557 0.391 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547722797 1072337158 /nfs/dbraw/zinc/33/71/58/1072337158.db2.gz YERUMVNUJHKFKT-LNLFQRSKSA-N 1 0 436.557 0.391 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547722948 1072337463 /nfs/dbraw/zinc/33/74/63/1072337463.db2.gz AFCRGTXXUYSJRH-GOSISDBHSA-N 1 0 439.630 0.386 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC4CC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547722983 1072337504 /nfs/dbraw/zinc/33/75/04/1072337504.db2.gz AFCRGTXXUYSJRH-SFHVURJKSA-N 1 0 439.630 0.386 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CC4)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001547723374 1072337576 /nfs/dbraw/zinc/33/75/76/1072337576.db2.gz GZOFFTDQGBPQKA-GOSISDBHSA-N 1 0 439.630 0.701 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CC4)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001547723375 1072337396 /nfs/dbraw/zinc/33/73/96/1072337396.db2.gz GZOFFTDQGBPQKA-SFHVURJKSA-N 1 0 439.630 0.701 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCC(=O)N(C)C)C2)CC1 ZINC001547723379 1072337606 /nfs/dbraw/zinc/33/76/06/1072337606.db2.gz HGKOAQPMAFPVCB-KRWDZBQOSA-N 1 0 427.557 0.430 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCC(=O)N(C)C)C2)CC1 ZINC001547723381 1072337233 /nfs/dbraw/zinc/33/72/33/1072337233.db2.gz HGKOAQPMAFPVCB-QGZVFWFLSA-N 1 0 427.557 0.430 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724342 1072337729 /nfs/dbraw/zinc/33/77/29/1072337729.db2.gz QAEXNHLBJBEWDN-CVEARBPZSA-N 1 0 441.527 0.727 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724348 1072337775 /nfs/dbraw/zinc/33/77/75/1072337775.db2.gz QAEXNHLBJBEWDN-HOTGVXAUSA-N 1 0 441.527 0.727 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724350 1072337261 /nfs/dbraw/zinc/33/72/61/1072337261.db2.gz QAEXNHLBJBEWDN-HZPDHXFCSA-N 1 0 441.527 0.727 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724351 1072337634 /nfs/dbraw/zinc/33/76/34/1072337634.db2.gz QAEXNHLBJBEWDN-JKSUJKDBSA-N 1 0 441.527 0.727 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)CC1 ZINC001547724518 1072337665 /nfs/dbraw/zinc/33/76/65/1072337665.db2.gz QRFBFYFXJBSLSR-IBGZPJMESA-N 1 0 426.569 0.568 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)CC1 ZINC001547724519 1072337293 /nfs/dbraw/zinc/33/72/93/1072337293.db2.gz QRFBFYFXJBSLSR-LJQANCHMSA-N 1 0 426.569 0.568 20 0 ICADRO CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001547724559 1072338186 /nfs/dbraw/zinc/33/81/86/1072338186.db2.gz QWPNCJIMYQOSQQ-KRWDZBQOSA-N 1 0 427.557 0.430 20 0 ICADRO CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001547724560 1072338326 /nfs/dbraw/zinc/33/83/26/1072338326.db2.gz QWPNCJIMYQOSQQ-QGZVFWFLSA-N 1 0 427.557 0.430 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[S@@](=O)CC)C2)CC1 ZINC001547724602 1072338062 /nfs/dbraw/zinc/33/80/62/1072338062.db2.gz RTHDHZMYWNVPQW-GAEBUCLRSA-N 1 0 437.614 0.214 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[S@](=O)CC)C2)CC1 ZINC001547724603 1072338251 /nfs/dbraw/zinc/33/82/51/1072338251.db2.gz RTHDHZMYWNVPQW-OTLZBWLZSA-N 1 0 437.614 0.214 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[S@@](=O)CC)C2)CC1 ZINC001547724604 1072338233 /nfs/dbraw/zinc/33/82/33/1072338233.db2.gz RTHDHZMYWNVPQW-QRYFSLSHSA-N 1 0 437.614 0.214 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[S@](=O)CC)C2)CC1 ZINC001547724605 1072338094 /nfs/dbraw/zinc/33/80/94/1072338094.db2.gz RTHDHZMYWNVPQW-ZJFXZWFHSA-N 1 0 437.614 0.214 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724622 1072338273 /nfs/dbraw/zinc/33/82/73/1072338273.db2.gz SDTAUHKUZVXEJI-MSOLQXFVSA-N 1 0 440.614 0.781 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724623 1072338041 /nfs/dbraw/zinc/33/80/41/1072338041.db2.gz SDTAUHKUZVXEJI-QZTJIDSGSA-N 1 0 440.614 0.781 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724624 1072338108 /nfs/dbraw/zinc/33/81/08/1072338108.db2.gz SDTAUHKUZVXEJI-ROUUACIJSA-N 1 0 440.614 0.781 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724625 1072338221 /nfs/dbraw/zinc/33/82/21/1072338221.db2.gz SDTAUHKUZVXEJI-ZWKOTPCHSA-N 1 0 440.614 0.781 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCCn3cc(CO)nn3)C2)CC1 ZINC001547724764 1072338356 /nfs/dbraw/zinc/33/83/56/1072338356.db2.gz RUNCNQKFIVCFBO-FQEVSTJZSA-N 1 0 445.616 0.867 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCCn3cc(CO)nn3)C2)CC1 ZINC001547724765 1072338199 /nfs/dbraw/zinc/33/81/99/1072338199.db2.gz RUNCNQKFIVCFBO-HXUWFJFHSA-N 1 0 445.616 0.867 20 0 ICADRO CCN(CCCn1c(C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1)S(C)(=O)=O ZINC001547724867 1072338173 /nfs/dbraw/zinc/33/81/73/1072338173.db2.gz LDSNQHYGSAFQHD-GOSISDBHSA-N 1 0 427.619 0.474 20 0 ICADRO CCN(CCCn1c(C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1)S(C)(=O)=O ZINC001547724870 1072338121 /nfs/dbraw/zinc/33/81/21/1072338121.db2.gz LDSNQHYGSAFQHD-SFHVURJKSA-N 1 0 427.619 0.474 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001547725738 1072338300 /nfs/dbraw/zinc/33/83/00/1072338300.db2.gz ZHYBLRHVRPYEQN-GOSISDBHSA-N 1 0 439.630 0.700 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001547725740 1072338900 /nfs/dbraw/zinc/33/89/00/1072338900.db2.gz ZHYBLRHVRPYEQN-SFHVURJKSA-N 1 0 439.630 0.700 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001547726163 1072339050 /nfs/dbraw/zinc/33/90/50/1072339050.db2.gz LUCSRROIEQZREM-GOSISDBHSA-N 1 0 448.616 0.033 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001547726164 1072339030 /nfs/dbraw/zinc/33/90/30/1072339030.db2.gz LUCSRROIEQZREM-SFHVURJKSA-N 1 0 448.616 0.033 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001547726169 1072339070 /nfs/dbraw/zinc/33/90/70/1072339070.db2.gz LXYRHFRCVUUBFK-KRWDZBQOSA-N 1 0 441.646 0.720 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001547726170 1072339087 /nfs/dbraw/zinc/33/90/87/1072339087.db2.gz LXYRHFRCVUUBFK-QGZVFWFLSA-N 1 0 441.646 0.720 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547726362 1072338727 /nfs/dbraw/zinc/33/87/27/1072338727.db2.gz NROPAYMRYFTFBN-GOSISDBHSA-N 1 0 448.616 0.358 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547726364 1072338944 /nfs/dbraw/zinc/33/89/44/1072338944.db2.gz NROPAYMRYFTFBN-SFHVURJKSA-N 1 0 448.616 0.358 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547726745 1072338809 /nfs/dbraw/zinc/33/88/09/1072338809.db2.gz RLAWWTFNRQJPIY-KURKYZTESA-N 1 0 435.573 0.251 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547726746 1072338671 /nfs/dbraw/zinc/33/86/71/1072338671.db2.gz RLAWWTFNRQJPIY-OKZBNKHCSA-N 1 0 435.573 0.251 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001547727726 1072338860 /nfs/dbraw/zinc/33/88/60/1072338860.db2.gz AWBBSOMRSWRBLE-UHFFFAOYSA-N 1 0 429.573 0.591 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001547728075 1072338921 /nfs/dbraw/zinc/33/89/21/1072338921.db2.gz MIEQOJXUOMPOBS-KRWDZBQOSA-N 1 0 434.614 0.521 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001547728079 1072338755 /nfs/dbraw/zinc/33/87/55/1072338755.db2.gz MIEQOJXUOMPOBS-QGZVFWFLSA-N 1 0 434.614 0.521 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547728084 1072338790 /nfs/dbraw/zinc/33/87/90/1072338790.db2.gz MKEOTNFFGTUWSV-HTAPYJJXSA-N 1 0 441.584 0.710 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547728086 1072338981 /nfs/dbraw/zinc/33/89/81/1072338981.db2.gz MKEOTNFFGTUWSV-JTSKRJEESA-N 1 0 441.584 0.710 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547728088 1072338965 /nfs/dbraw/zinc/33/89/65/1072338965.db2.gz MKEOTNFFGTUWSV-VGOFRKELSA-N 1 0 441.584 0.710 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547728090 1072338709 /nfs/dbraw/zinc/33/87/09/1072338709.db2.gz MKEOTNFFGTUWSV-VGSWGCGISA-N 1 0 441.584 0.710 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001547728135 1072338843 /nfs/dbraw/zinc/33/88/43/1072338843.db2.gz IMERSACMCGKHGF-UHFFFAOYSA-N 1 0 432.573 0.525 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547728229 1072338996 /nfs/dbraw/zinc/33/89/96/1072338996.db2.gz NKLUFFOSZQDFIH-GOSISDBHSA-N 1 0 449.625 0.792 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547728231 1072339407 /nfs/dbraw/zinc/33/94/07/1072339407.db2.gz NKLUFFOSZQDFIH-SFHVURJKSA-N 1 0 449.625 0.792 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547728304 1072339426 /nfs/dbraw/zinc/33/94/26/1072339426.db2.gz AHRLHPRKZBMESA-BBWFWOEESA-N 1 0 434.589 0.203 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547728307 1072339524 /nfs/dbraw/zinc/33/95/24/1072339524.db2.gz AHRLHPRKZBMESA-GVDBMIGSSA-N 1 0 434.589 0.203 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547728310 1072339484 /nfs/dbraw/zinc/33/94/84/1072339484.db2.gz AHRLHPRKZBMESA-ULQDDVLXSA-N 1 0 434.589 0.203 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547728312 1072339727 /nfs/dbraw/zinc/33/97/27/1072339727.db2.gz AHRLHPRKZBMESA-YESZJQIVSA-N 1 0 434.589 0.203 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728673 1072339704 /nfs/dbraw/zinc/33/97/04/1072339704.db2.gz CPUFVWMZTYLCOG-MOPGFXCFSA-N 1 0 433.601 0.724 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728676 1072339377 /nfs/dbraw/zinc/33/93/77/1072339377.db2.gz CPUFVWMZTYLCOG-OALUTQOASA-N 1 0 433.601 0.724 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728678 1072339592 /nfs/dbraw/zinc/33/95/92/1072339592.db2.gz CPUFVWMZTYLCOG-RBUKOAKNSA-N 1 0 433.601 0.724 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728680 1072339625 /nfs/dbraw/zinc/33/96/25/1072339625.db2.gz CPUFVWMZTYLCOG-RTBURBONSA-N 1 0 433.601 0.724 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001547728958 1072339349 /nfs/dbraw/zinc/33/93/49/1072339349.db2.gz RDFUMEIZSSZIRO-MSOLQXFVSA-N 1 0 443.600 0.654 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001547728961 1072339646 /nfs/dbraw/zinc/33/96/46/1072339646.db2.gz RDFUMEIZSSZIRO-QZTJIDSGSA-N 1 0 443.600 0.654 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001547728963 1072339543 /nfs/dbraw/zinc/33/95/43/1072339543.db2.gz RDFUMEIZSSZIRO-ROUUACIJSA-N 1 0 443.600 0.654 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001547728965 1072339690 /nfs/dbraw/zinc/33/96/90/1072339690.db2.gz RDFUMEIZSSZIRO-ZWKOTPCHSA-N 1 0 443.600 0.654 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728985 1072339659 /nfs/dbraw/zinc/33/96/59/1072339659.db2.gz FFPAKTOGUHWSRI-GOSISDBHSA-N 1 0 426.569 0.474 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728987 1072339558 /nfs/dbraw/zinc/33/95/58/1072339558.db2.gz FFPAKTOGUHWSRI-SFHVURJKSA-N 1 0 426.569 0.474 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547729615 1072339507 /nfs/dbraw/zinc/33/95/07/1072339507.db2.gz WTJNMIUFNWVIKL-KRWDZBQOSA-N 1 0 427.557 0.287 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547729616 1072339583 /nfs/dbraw/zinc/33/95/83/1072339583.db2.gz WTJNMIUFNWVIKL-QGZVFWFLSA-N 1 0 427.557 0.287 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547729812 1072339772 /nfs/dbraw/zinc/33/97/72/1072339772.db2.gz BKULBPSRRRHLTG-IBGZPJMESA-N 1 0 447.628 0.799 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547729815 1072339745 /nfs/dbraw/zinc/33/97/45/1072339745.db2.gz BKULBPSRRRHLTG-LJQANCHMSA-N 1 0 447.628 0.799 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547730638 1072340420 /nfs/dbraw/zinc/34/04/20/1072340420.db2.gz NYZSXXAJGKMDAC-GOSISDBHSA-N 1 0 433.601 0.724 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547730640 1072340270 /nfs/dbraw/zinc/34/02/70/1072340270.db2.gz NYZSXXAJGKMDAC-SFHVURJKSA-N 1 0 433.601 0.724 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547730732 1072340297 /nfs/dbraw/zinc/34/02/97/1072340297.db2.gz LFLBSPMFSPHHDX-MSOLQXFVSA-N 1 0 446.600 0.314 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547730733 1072340110 /nfs/dbraw/zinc/34/01/10/1072340110.db2.gz LFLBSPMFSPHHDX-QZTJIDSGSA-N 1 0 446.600 0.314 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547730734 1072340088 /nfs/dbraw/zinc/34/00/88/1072340088.db2.gz LFLBSPMFSPHHDX-ROUUACIJSA-N 1 0 446.600 0.314 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547730735 1072340457 /nfs/dbraw/zinc/34/04/57/1072340457.db2.gz LFLBSPMFSPHHDX-ZWKOTPCHSA-N 1 0 446.600 0.314 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547730960 1072340050 /nfs/dbraw/zinc/34/00/50/1072340050.db2.gz POUHWPLHDYEROH-FHWLQOOXSA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547730964 1072340215 /nfs/dbraw/zinc/34/02/15/1072340215.db2.gz POUHWPLHDYEROH-GBESFXJTSA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547730966 1072340353 /nfs/dbraw/zinc/34/03/53/1072340353.db2.gz POUHWPLHDYEROH-IPMKNSEASA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547730968 1072340519 /nfs/dbraw/zinc/34/05/19/1072340519.db2.gz POUHWPLHDYEROH-OTWHNJEPSA-N 1 0 433.601 0.723 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731048 1072340003 /nfs/dbraw/zinc/34/00/03/1072340003.db2.gz OGEFUFPIPDTMTM-IBGZPJMESA-N 1 0 433.601 0.916 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731049 1072340478 /nfs/dbraw/zinc/34/04/78/1072340478.db2.gz OGEFUFPIPDTMTM-LJQANCHMSA-N 1 0 433.601 0.916 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731158 1072340248 /nfs/dbraw/zinc/34/02/48/1072340248.db2.gz ISAJLMGVDNSQGA-UHFFFAOYSA-N 1 0 446.600 0.258 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547731471 1072340133 /nfs/dbraw/zinc/34/01/33/1072340133.db2.gz LLBSPVIRHJGDTO-JOCHJYFZSA-N 1 0 448.616 0.536 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547731493 1072340497 /nfs/dbraw/zinc/34/04/97/1072340497.db2.gz LLBSPVIRHJGDTO-QFIPXVFZSA-N 1 0 448.616 0.536 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001547731552 1072340387 /nfs/dbraw/zinc/34/03/87/1072340387.db2.gz LUVRTYWGWUCJNQ-AQNXPRMDSA-N 1 0 447.628 0.881 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001547731554 1072340019 /nfs/dbraw/zinc/34/00/19/1072340019.db2.gz LUVRTYWGWUCJNQ-ZCNNSNEGSA-N 1 0 447.628 0.881 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731775 1072340872 /nfs/dbraw/zinc/34/08/72/1072340872.db2.gz MYEXCCRLKQWNAQ-GOSISDBHSA-N 1 0 446.600 0.000 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731778 1072340856 /nfs/dbraw/zinc/34/08/56/1072340856.db2.gz MYEXCCRLKQWNAQ-SFHVURJKSA-N 1 0 446.600 0.000 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731823 1072341080 /nfs/dbraw/zinc/34/10/80/1072341080.db2.gz TUOJAHVSYCRPMA-MSOLQXFVSA-N 1 0 440.614 0.290 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731825 1072340961 /nfs/dbraw/zinc/34/09/61/1072340961.db2.gz TUOJAHVSYCRPMA-QZTJIDSGSA-N 1 0 440.614 0.290 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731827 1072341018 /nfs/dbraw/zinc/34/10/18/1072341018.db2.gz TUOJAHVSYCRPMA-ROUUACIJSA-N 1 0 440.614 0.290 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731828 1072340948 /nfs/dbraw/zinc/34/09/48/1072340948.db2.gz TUOJAHVSYCRPMA-ZWKOTPCHSA-N 1 0 440.614 0.290 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547731937 1072341098 /nfs/dbraw/zinc/34/10/98/1072341098.db2.gz WPCZUANHVWXHCL-MSOLQXFVSA-N 1 0 447.584 0.646 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547731938 1072340888 /nfs/dbraw/zinc/34/08/88/1072340888.db2.gz WPCZUANHVWXHCL-QZTJIDSGSA-N 1 0 447.584 0.646 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547731939 1072341006 /nfs/dbraw/zinc/34/10/06/1072341006.db2.gz WPCZUANHVWXHCL-ROUUACIJSA-N 1 0 447.584 0.646 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547731940 1072341109 /nfs/dbraw/zinc/34/11/09/1072341109.db2.gz WPCZUANHVWXHCL-ZWKOTPCHSA-N 1 0 447.584 0.646 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547732639 1072340993 /nfs/dbraw/zinc/34/09/93/1072340993.db2.gz UESGPCDOURRNLI-QZTJIDSGSA-N 1 0 440.614 0.638 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547732640 1072340814 /nfs/dbraw/zinc/34/08/14/1072340814.db2.gz UESGPCDOURRNLI-ZWKOTPCHSA-N 1 0 440.614 0.638 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001547733322 1072340927 /nfs/dbraw/zinc/34/09/27/1072340927.db2.gz KEOBZSBGDKJGLJ-UHFFFAOYSA-N 1 0 441.584 0.435 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547733432 1072341031 /nfs/dbraw/zinc/34/10/31/1072341031.db2.gz ATGIXRCLSCDMQP-IBGZPJMESA-N 1 0 448.616 0.549 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547733433 1072340834 /nfs/dbraw/zinc/34/08/34/1072340834.db2.gz ATGIXRCLSCDMQP-LJQANCHMSA-N 1 0 448.616 0.549 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547733650 1072340905 /nfs/dbraw/zinc/34/09/05/1072340905.db2.gz FWYNRSBTRVRDLK-GOSISDBHSA-N 1 0 446.600 0.209 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547733652 1072341043 /nfs/dbraw/zinc/34/10/43/1072341043.db2.gz FWYNRSBTRVRDLK-SFHVURJKSA-N 1 0 446.600 0.209 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)CC1 ZINC001547733715 1072340975 /nfs/dbraw/zinc/34/09/75/1072340975.db2.gz HEAQHHHKVFTBLU-UHFFFAOYSA-N 1 0 443.600 0.875 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC001547733755 1072341463 /nfs/dbraw/zinc/34/14/63/1072341463.db2.gz TZFRPOYOGULOBO-UHFFFAOYSA-N 1 0 446.644 0.749 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001547733816 1072341670 /nfs/dbraw/zinc/34/16/70/1072341670.db2.gz UYWIGWSZCXPSPO-IKGGRYGDSA-N 1 0 445.609 0.710 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001547733817 1072341767 /nfs/dbraw/zinc/34/17/67/1072341767.db2.gz UYWIGWSZCXPSPO-ZACQAIPSSA-N 1 0 445.609 0.710 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547734095 1072341382 /nfs/dbraw/zinc/34/13/82/1072341382.db2.gz MJCYWABHPKXKBH-UHFFFAOYSA-N 1 0 446.600 0.255 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547734102 1072341562 /nfs/dbraw/zinc/34/15/62/1072341562.db2.gz MRIPOYWXIVJEHE-UHFFFAOYSA-N 1 0 443.600 0.912 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547734117 1072341745 /nfs/dbraw/zinc/34/17/45/1072341745.db2.gz NGZGBMDNPFMGTF-HDICACEKSA-N 1 0 437.589 0.294 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547734245 1072341791 /nfs/dbraw/zinc/34/17/91/1072341791.db2.gz RSBURYTVFGULOC-KRWDZBQOSA-N 1 0 434.589 0.111 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547734247 1072341397 /nfs/dbraw/zinc/34/13/97/1072341397.db2.gz RSBURYTVFGULOC-QGZVFWFLSA-N 1 0 434.589 0.111 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001547734278 1072341435 /nfs/dbraw/zinc/34/14/35/1072341435.db2.gz BBUIAKMICYMQHJ-UHFFFAOYSA-N 1 0 441.584 0.821 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547734302 1072341423 /nfs/dbraw/zinc/34/14/23/1072341423.db2.gz BKMPDLUEPAWJNJ-UHFFFAOYSA-N 1 0 443.600 0.811 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547734351 1072341813 /nfs/dbraw/zinc/34/18/13/1072341813.db2.gz CPNAIEWQRYSBJS-MSOLQXFVSA-N 1 0 446.600 0.349 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547734352 1072341724 /nfs/dbraw/zinc/34/17/24/1072341724.db2.gz CPNAIEWQRYSBJS-QZTJIDSGSA-N 1 0 446.600 0.349 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547734353 1072341347 /nfs/dbraw/zinc/34/13/47/1072341347.db2.gz CPNAIEWQRYSBJS-ROUUACIJSA-N 1 0 446.600 0.349 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547734354 1072341500 /nfs/dbraw/zinc/34/15/00/1072341500.db2.gz CPNAIEWQRYSBJS-ZWKOTPCHSA-N 1 0 446.600 0.349 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001547734422 1072341537 /nfs/dbraw/zinc/34/15/37/1072341537.db2.gz DXOHARWEBCTDQY-UHFFFAOYSA-N 1 0 441.584 0.725 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001547734452 1072341319 /nfs/dbraw/zinc/34/13/19/1072341319.db2.gz UMAWEIDGPSOXHB-UHFFFAOYSA-N 1 0 434.589 0.146 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001547734639 1072341707 /nfs/dbraw/zinc/34/17/07/1072341707.db2.gz KAVWFGTWBQCWAZ-GOSISDBHSA-N 1 0 443.600 0.763 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001547734641 1072341626 /nfs/dbraw/zinc/34/16/26/1072341626.db2.gz KAVWFGTWBQCWAZ-SFHVURJKSA-N 1 0 443.600 0.763 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)CC2)CC1 ZINC001547734696 1072342369 /nfs/dbraw/zinc/34/23/69/1072342369.db2.gz BPGGTCFMASYWFX-ICSRJNTNSA-N 1 0 449.600 0.356 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001547734703 1072341600 /nfs/dbraw/zinc/34/16/00/1072341600.db2.gz LANVKYUTONYZPP-UHFFFAOYSA-N 1 0 435.598 0.849 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547734872 1072342038 /nfs/dbraw/zinc/34/20/38/1072342038.db2.gz YUMMQATWECNIRK-GOSISDBHSA-N 1 0 447.584 0.541 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547734873 1072342310 /nfs/dbraw/zinc/34/23/10/1072342310.db2.gz YUMMQATWECNIRK-SFHVURJKSA-N 1 0 447.584 0.541 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547734935 1072342334 /nfs/dbraw/zinc/34/23/34/1072342334.db2.gz MFFODKXYJXSAQB-GOSISDBHSA-N 1 0 430.557 0.614 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547734940 1072342186 /nfs/dbraw/zinc/34/21/86/1072342186.db2.gz MFFODKXYJXSAQB-SFHVURJKSA-N 1 0 430.557 0.614 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001547734982 1072342143 /nfs/dbraw/zinc/34/21/43/1072342143.db2.gz MZUUPRPFLIQOIL-JOCHJYFZSA-N 1 0 441.584 0.725 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001547734984 1072342267 /nfs/dbraw/zinc/34/22/67/1072342267.db2.gz MZUUPRPFLIQOIL-QFIPXVFZSA-N 1 0 441.584 0.725 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547735074 1072342434 /nfs/dbraw/zinc/34/24/34/1072342434.db2.gz HBARYMOQXYLWMI-UHFFFAOYSA-N 1 0 433.601 0.553 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547735135 1072342291 /nfs/dbraw/zinc/34/22/91/1072342291.db2.gz AKPUPFPJRAAFHF-MOPGFXCFSA-N 1 0 433.601 0.901 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547735137 1072342224 /nfs/dbraw/zinc/34/22/24/1072342224.db2.gz AKPUPFPJRAAFHF-OALUTQOASA-N 1 0 433.601 0.901 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547735139 1072342205 /nfs/dbraw/zinc/34/22/05/1072342205.db2.gz AKPUPFPJRAAFHF-RBUKOAKNSA-N 1 0 433.601 0.901 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547735141 1072342423 /nfs/dbraw/zinc/34/24/23/1072342423.db2.gz AKPUPFPJRAAFHF-RTBURBONSA-N 1 0 433.601 0.901 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547735330 1072342078 /nfs/dbraw/zinc/34/20/78/1072342078.db2.gz JNAWKHFZWVZVAE-GOSISDBHSA-N 1 0 446.600 0.095 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001547735334 1072342258 /nfs/dbraw/zinc/34/22/58/1072342258.db2.gz PYJCBXQUKGQINU-IBGZPJMESA-N 1 0 447.609 0.991 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001547735335 1072342350 /nfs/dbraw/zinc/34/23/50/1072342350.db2.gz PYJCBXQUKGQINU-LJQANCHMSA-N 1 0 447.609 0.991 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547735338 1072342389 /nfs/dbraw/zinc/34/23/89/1072342389.db2.gz JNAWKHFZWVZVAE-SFHVURJKSA-N 1 0 446.600 0.095 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547735386 1072342247 /nfs/dbraw/zinc/34/22/47/1072342247.db2.gz QMABLQNVWXQDHK-MSOLQXFVSA-N 1 0 446.600 0.219 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547735388 1072342168 /nfs/dbraw/zinc/34/21/68/1072342168.db2.gz QMABLQNVWXQDHK-QZTJIDSGSA-N 1 0 446.600 0.219 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547735389 1072342279 /nfs/dbraw/zinc/34/22/79/1072342279.db2.gz DCFRBVAZLDOBMQ-IBGZPJMESA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547735390 1072342861 /nfs/dbraw/zinc/34/28/61/1072342861.db2.gz QMABLQNVWXQDHK-ROUUACIJSA-N 1 0 446.600 0.219 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547735391 1072342108 /nfs/dbraw/zinc/34/21/08/1072342108.db2.gz DCFRBVAZLDOBMQ-LJQANCHMSA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547735393 1072343046 /nfs/dbraw/zinc/34/30/46/1072343046.db2.gz QMABLQNVWXQDHK-ZWKOTPCHSA-N 1 0 446.600 0.219 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001547735482 1072342930 /nfs/dbraw/zinc/34/29/30/1072342930.db2.gz RKUXFAXTCCVOIH-UHFFFAOYSA-N 1 0 429.573 0.724 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547735524 1072342946 /nfs/dbraw/zinc/34/29/46/1072342946.db2.gz SCKFNOLGVXFISY-UHFFFAOYSA-N 1 0 444.584 0.596 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547735538 1072342767 /nfs/dbraw/zinc/34/27/67/1072342767.db2.gz GDNILMTYDAUGNE-UHFFFAOYSA-N 1 0 447.609 0.526 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547735752 1072342809 /nfs/dbraw/zinc/34/28/09/1072342809.db2.gz UEPVIEINRLVTDT-UHFFFAOYSA-N 1 0 427.557 0.431 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001547735846 1072342994 /nfs/dbraw/zinc/34/29/94/1072342994.db2.gz JVRVTKXKXBLLQG-FQEVSTJZSA-N 1 0 435.617 0.578 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001547735847 1072342712 /nfs/dbraw/zinc/34/27/12/1072342712.db2.gz JVRVTKXKXBLLQG-HXUWFJFHSA-N 1 0 435.617 0.578 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CC3CC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547736093 1072342964 /nfs/dbraw/zinc/34/29/64/1072342964.db2.gz MDDNWGVTOOQBGH-UHFFFAOYSA-N 1 0 433.601 0.553 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547736185 1072342790 /nfs/dbraw/zinc/34/27/90/1072342790.db2.gz YOFDREIVGFXGLF-UHFFFAOYSA-N 1 0 443.600 0.531 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547736294 1072343131 /nfs/dbraw/zinc/34/31/31/1072343131.db2.gz ZTFGUERIZLXOQM-GOSISDBHSA-N 1 0 428.585 0.978 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547736296 1072342747 /nfs/dbraw/zinc/34/27/47/1072342747.db2.gz ZTFGUERIZLXOQM-SFHVURJKSA-N 1 0 428.585 0.978 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547736358 1072342886 /nfs/dbraw/zinc/34/28/86/1072342886.db2.gz RVQJAAIGWYEQTH-KDURUIRLSA-N 1 0 449.600 0.278 20 0 ICADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547736368 1072342847 /nfs/dbraw/zinc/34/28/47/1072342847.db2.gz RZRXWJJBEJNSEL-UHFFFAOYSA-N 1 0 446.600 0.097 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(OC)C2)CC1 ZINC001547736427 1072343023 /nfs/dbraw/zinc/34/30/23/1072343023.db2.gz PWDLUGMHMNLKLR-KRWDZBQOSA-N 1 0 440.614 0.433 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(OC)C2)CC1 ZINC001547736428 1072342690 /nfs/dbraw/zinc/34/26/90/1072342690.db2.gz PWDLUGMHMNLKLR-QGZVFWFLSA-N 1 0 440.614 0.433 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736605 1072343105 /nfs/dbraw/zinc/34/31/05/1072343105.db2.gz VEZDZOPRXUJEFX-IBGZPJMESA-N 1 0 443.600 0.479 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547736608 1072343073 /nfs/dbraw/zinc/34/30/73/1072343073.db2.gz SPDJRERBRFTQHQ-UHFFFAOYSA-N 1 0 440.596 0.960 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736612 1072342908 /nfs/dbraw/zinc/34/29/08/1072342908.db2.gz VEZDZOPRXUJEFX-LJQANCHMSA-N 1 0 443.600 0.479 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547736636 1072342826 /nfs/dbraw/zinc/34/28/26/1072342826.db2.gz SYGLTPOCVVNCPS-MOPGFXCFSA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547736646 1072343459 /nfs/dbraw/zinc/34/34/59/1072343459.db2.gz SYGLTPOCVVNCPS-OALUTQOASA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547736648 1072343386 /nfs/dbraw/zinc/34/33/86/1072343386.db2.gz SYGLTPOCVVNCPS-RBUKOAKNSA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547736649 1072343517 /nfs/dbraw/zinc/34/35/17/1072343517.db2.gz SYGLTPOCVVNCPS-RTBURBONSA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736786 1072343585 /nfs/dbraw/zinc/34/35/85/1072343585.db2.gz VWMJMEAJPOEOBO-IBGZPJMESA-N 1 0 426.569 0.603 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736787 1072343337 /nfs/dbraw/zinc/34/33/37/1072343337.db2.gz VWMJMEAJPOEOBO-LJQANCHMSA-N 1 0 426.569 0.603 20 0 ICADRO CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001547741342 1072344031 /nfs/dbraw/zinc/34/40/31/1072344031.db2.gz BWPOFEBVXKFOAS-HNNXBMFYSA-N 1 0 443.618 0.581 20 0 ICADRO CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001547741343 1072344115 /nfs/dbraw/zinc/34/41/15/1072344115.db2.gz BWPOFEBVXKFOAS-OAHLLOKOSA-N 1 0 443.618 0.581 20 0 ICADRO CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC001547756351 1072347084 /nfs/dbraw/zinc/34/70/84/1072347084.db2.gz NKWCPGFRRWZLQD-UHFFFAOYSA-N 1 0 431.585 0.891 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCCCC2)CC1 ZINC001547763327 1072348231 /nfs/dbraw/zinc/34/82/31/1072348231.db2.gz DQMBCZDQPJSSSS-UHFFFAOYSA-N 1 0 448.616 0.550 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001547763421 1072348276 /nfs/dbraw/zinc/34/82/76/1072348276.db2.gz IKAKUNRSUKQYOT-UHFFFAOYSA-N 1 0 448.616 0.549 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001547763714 1072348526 /nfs/dbraw/zinc/34/85/26/1072348526.db2.gz RKAPKGYJHHHDHP-GOSISDBHSA-N 1 0 446.600 0.257 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001547763715 1072348691 /nfs/dbraw/zinc/34/86/91/1072348691.db2.gz RKAPKGYJHHHDHP-SFHVURJKSA-N 1 0 446.600 0.257 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001547763813 1072349051 /nfs/dbraw/zinc/34/90/51/1072349051.db2.gz UMWPLWNITUUKOG-UHFFFAOYSA-N 1 0 435.617 0.895 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001547763857 1072349178 /nfs/dbraw/zinc/34/91/78/1072349178.db2.gz WOWWFHGRIQINSR-FQEVSTJZSA-N 1 0 448.660 0.933 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001547763858 1072349032 /nfs/dbraw/zinc/34/90/32/1072349032.db2.gz WOWWFHGRIQINSR-HXUWFJFHSA-N 1 0 448.660 0.933 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001547764534 1072349021 /nfs/dbraw/zinc/34/90/21/1072349021.db2.gz BBFGKCLROPZPSG-UHFFFAOYSA-N 1 0 441.584 0.868 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001547765133 1072349499 /nfs/dbraw/zinc/34/94/99/1072349499.db2.gz JPWJRZVLSJSWRR-GOSISDBHSA-N 1 0 444.584 0.500 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001547765134 1072349528 /nfs/dbraw/zinc/34/95/28/1072349528.db2.gz JPWJRZVLSJSWRR-SFHVURJKSA-N 1 0 444.584 0.500 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[NH+]2CCCC2)CC1 ZINC001547765200 1072349953 /nfs/dbraw/zinc/34/99/53/1072349953.db2.gz MWSMTROIJHUCSI-JOCHJYFZSA-N 1 0 449.600 0.284 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[NH+]2CCCC2)CC1 ZINC001547765201 1072349549 /nfs/dbraw/zinc/34/95/49/1072349549.db2.gz MWSMTROIJHUCSI-QFIPXVFZSA-N 1 0 449.600 0.284 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001547765453 1072349920 /nfs/dbraw/zinc/34/99/20/1072349920.db2.gz OFOLAXDCJHBFJE-UHFFFAOYSA-N 1 0 443.600 0.669 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001547766037 1072350494 /nfs/dbraw/zinc/35/04/94/1072350494.db2.gz YRXLTUVOHKKELH-GOSISDBHSA-N 1 0 429.573 0.277 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001547766040 1072350503 /nfs/dbraw/zinc/35/05/03/1072350503.db2.gz YRXLTUVOHKKELH-SFHVURJKSA-N 1 0 429.573 0.277 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)CC1 ZINC001547766254 1072350527 /nfs/dbraw/zinc/35/05/27/1072350527.db2.gz DHDLIZMXAPNEDP-UHFFFAOYSA-N 1 0 427.557 0.479 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001547766372 1072350930 /nfs/dbraw/zinc/35/09/30/1072350930.db2.gz HIQSOUUWIACKKE-MSOLQXFVSA-N 1 0 446.600 0.219 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001547766373 1072351019 /nfs/dbraw/zinc/35/10/19/1072351019.db2.gz HIQSOUUWIACKKE-QZTJIDSGSA-N 1 0 446.600 0.219 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001547766374 1072351072 /nfs/dbraw/zinc/35/10/72/1072351072.db2.gz HIQSOUUWIACKKE-ROUUACIJSA-N 1 0 446.600 0.219 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001547766375 1072350888 /nfs/dbraw/zinc/35/08/88/1072350888.db2.gz HIQSOUUWIACKKE-ZWKOTPCHSA-N 1 0 446.600 0.219 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCC2)CC1 ZINC001547766493 1072351321 /nfs/dbraw/zinc/35/13/21/1072351321.db2.gz KTPPCILLCBPGEW-UHFFFAOYSA-N 1 0 427.557 0.479 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001547766806 1072351331 /nfs/dbraw/zinc/35/13/31/1072351331.db2.gz VSCACDPTRNKVJA-UHFFFAOYSA-N 1 0 429.573 0.724 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001547767530 1072352491 /nfs/dbraw/zinc/35/24/91/1072352491.db2.gz PXGXEXKABSJPLT-IBGZPJMESA-N 1 0 449.600 0.153 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001547767534 1072352290 /nfs/dbraw/zinc/35/22/90/1072352290.db2.gz PXGXEXKABSJPLT-LJQANCHMSA-N 1 0 449.600 0.153 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001547768030 1072352830 /nfs/dbraw/zinc/35/28/30/1072352830.db2.gz VNKOMSUTMLEHDF-IBGZPJMESA-N 1 0 433.601 0.916 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001547768034 1072352738 /nfs/dbraw/zinc/35/27/38/1072352738.db2.gz VNKOMSUTMLEHDF-LJQANCHMSA-N 1 0 433.601 0.916 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001547768091 1072352796 /nfs/dbraw/zinc/35/27/96/1072352796.db2.gz FBCAIJVQDGWLTI-IBGZPJMESA-N 1 0 447.628 0.990 20 0 ICADRO CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001547768093 1072352865 /nfs/dbraw/zinc/35/28/65/1072352865.db2.gz FBCAIJVQDGWLTI-LJQANCHMSA-N 1 0 447.628 0.990 20 0 ICADRO CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001547768789 1072353290 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CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)CC1 ZINC001547774828 1072357004 /nfs/dbraw/zinc/35/70/04/1072357004.db2.gz KRACQSSIRFWVKM-INIZCTEOSA-N 1 0 441.602 0.372 20 0 ICADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)CC1 ZINC001547774829 1072357431 /nfs/dbraw/zinc/35/74/31/1072357431.db2.gz KRACQSSIRFWVKM-MRXNPFEDSA-N 1 0 441.602 0.372 20 0 ICADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001547775033 1072357313 /nfs/dbraw/zinc/35/73/13/1072357313.db2.gz PCHOMEDRYMTAJV-MOPGFXCFSA-N 1 0 449.600 0.990 20 0 ICADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001547775034 1072357356 /nfs/dbraw/zinc/35/73/56/1072357356.db2.gz PCHOMEDRYMTAJV-OALUTQOASA-N 1 0 449.600 0.990 20 0 ICADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001547775035 1072357551 /nfs/dbraw/zinc/35/75/51/1072357551.db2.gz PCHOMEDRYMTAJV-RBUKOAKNSA-N 1 0 449.600 0.990 20 0 ICADRO 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CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001547779735 1072358875 /nfs/dbraw/zinc/35/88/75/1072358875.db2.gz DSEGPZDDTWUNHI-CVEARBPZSA-N 1 0 434.570 0.737 20 0 ICADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001547779736 1072359369 /nfs/dbraw/zinc/35/93/69/1072359369.db2.gz DSEGPZDDTWUNHI-HOTGVXAUSA-N 1 0 434.570 0.737 20 0 ICADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001547779738 1072359381 /nfs/dbraw/zinc/35/93/81/1072359381.db2.gz DSEGPZDDTWUNHI-HZPDHXFCSA-N 1 0 434.570 0.737 20 0 ICADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001547779740 1072359293 /nfs/dbraw/zinc/35/92/93/1072359293.db2.gz DSEGPZDDTWUNHI-JKSUJKDBSA-N 1 0 434.570 0.737 20 0 ICADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001547780356 1072359793 /nfs/dbraw/zinc/35/97/93/1072359793.db2.gz JKUJWJRLQRRNGI-FXAWDEMLSA-N 1 0 434.566 0.530 20 0 ICADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001547780359 1072359880 /nfs/dbraw/zinc/35/98/80/1072359880.db2.gz JKUJWJRLQRRNGI-PXNSSMCTSA-N 1 0 434.566 0.530 20 0 ICADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001547780362 1072359943 /nfs/dbraw/zinc/35/99/43/1072359943.db2.gz JKUJWJRLQRRNGI-XLIONFOSSA-N 1 0 434.566 0.530 20 0 ICADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001547780363 1072359830 /nfs/dbraw/zinc/35/98/30/1072359830.db2.gz JKUJWJRLQRRNGI-YLJYHZDGSA-N 1 0 434.566 0.530 20 0 ICADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCCC2)C1 ZINC001547780894 1072359774 /nfs/dbraw/zinc/35/97/74/1072359774.db2.gz WMYMLWNWEGNXDE-INIZCTEOSA-N 1 0 441.602 0.420 20 0 ICADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCCC2)C1 ZINC001547780895 1072360380 /nfs/dbraw/zinc/36/03/80/1072360380.db2.gz WMYMLWNWEGNXDE-MRXNPFEDSA-N 1 0 441.602 0.420 20 0 ICADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001547784244 1072362760 /nfs/dbraw/zinc/36/27/60/1072362760.db2.gz KPFSMUHNLJXMNM-GOSISDBHSA-N 1 0 442.630 0.841 20 0 ICADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001547784245 1072363223 /nfs/dbraw/zinc/36/32/23/1072363223.db2.gz KPFSMUHNLJXMNM-SFHVURJKSA-N 1 0 442.630 0.841 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547790772 1072365890 /nfs/dbraw/zinc/36/58/90/1072365890.db2.gz IFLXGGOBNXLBRS-HRAATJIYSA-N 1 0 449.556 0.353 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547790773 1072365703 /nfs/dbraw/zinc/36/57/03/1072365703.db2.gz IFLXGGOBNXLBRS-IERDGZPVSA-N 1 0 449.556 0.353 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547790774 1072365747 /nfs/dbraw/zinc/36/57/47/1072365747.db2.gz IFLXGGOBNXLBRS-IIBYNOLFSA-N 1 0 449.556 0.353 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547790775 1072365863 /nfs/dbraw/zinc/36/58/63/1072365863.db2.gz IFLXGGOBNXLBRS-KKSFZXQISA-N 1 0 449.556 0.353 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547792330 1072365782 /nfs/dbraw/zinc/36/57/82/1072365782.db2.gz WBEHLIMODVEOON-HRAATJIYSA-N 1 0 436.557 0.906 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547792332 1072365911 /nfs/dbraw/zinc/36/59/11/1072365911.db2.gz WBEHLIMODVEOON-IERDGZPVSA-N 1 0 436.557 0.906 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547792335 1072365847 /nfs/dbraw/zinc/36/58/47/1072365847.db2.gz WBEHLIMODVEOON-IIBYNOLFSA-N 1 0 436.557 0.906 20 0 ICADRO CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547792337 1072365807 /nfs/dbraw/zinc/36/58/07/1072365807.db2.gz WBEHLIMODVEOON-KKSFZXQISA-N 1 0 436.557 0.906 20 0 ICADRO CCOC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001547797065 1072366880 /nfs/dbraw/zinc/36/68/80/1072366880.db2.gz JRVPMEFVMNDODM-KRWDZBQOSA-N 1 0 446.556 0.925 20 0 ICADRO CCOC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001547797066 1072366834 /nfs/dbraw/zinc/36/68/34/1072366834.db2.gz JRVPMEFVMNDODM-QGZVFWFLSA-N 1 0 446.556 0.925 20 0 ICADRO CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCSCC2)CC1 ZINC001547798169 1072367275 /nfs/dbraw/zinc/36/72/75/1072367275.db2.gz LOYYHZJRUNUYOR-HNNXBMFYSA-N 1 0 437.570 0.557 20 0 ICADRO CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCSCC2)CC1 ZINC001547798171 1072367391 /nfs/dbraw/zinc/36/73/91/1072367391.db2.gz LOYYHZJRUNUYOR-OAHLLOKOSA-N 1 0 437.570 0.557 20 0 ICADRO CCOC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547798242 1072367228 /nfs/dbraw/zinc/36/72/28/1072367228.db2.gz MLXAVOWJCIQYHT-NRFANRHFSA-N 1 0 429.525 0.994 20 0 ICADRO CCOC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547798250 1072367327 /nfs/dbraw/zinc/36/73/27/1072367327.db2.gz MLXAVOWJCIQYHT-OAQYLSRUSA-N 1 0 429.525 0.994 20 0 ICADRO CCOC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001547799219 1072367944 /nfs/dbraw/zinc/36/79/44/1072367944.db2.gz XPRPMDYMSOCSMC-UHFFFAOYSA-N 1 0 444.540 0.860 20 0 ICADRO CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547861622 1072371863 /nfs/dbraw/zinc/37/18/63/1072371863.db2.gz WGGOEVBWHCDIFS-LEWJYISDSA-N 1 0 433.557 0.675 20 0 ICADRO CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547861624 1072371780 /nfs/dbraw/zinc/37/17/80/1072371780.db2.gz WGGOEVBWHCDIFS-NHCUHLMSSA-N 1 0 433.557 0.675 20 0 ICADRO CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547861626 1072371922 /nfs/dbraw/zinc/37/19/22/1072371922.db2.gz WGGOEVBWHCDIFS-RTWAWAEBSA-N 1 0 433.557 0.675 20 0 ICADRO CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547861628 1072371844 /nfs/dbraw/zinc/37/18/44/1072371844.db2.gz WGGOEVBWHCDIFS-SFTDATJTSA-N 1 0 433.557 0.675 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001547911459 1072384297 /nfs/dbraw/zinc/38/42/97/1072384297.db2.gz BINKIRHUUGJMFB-NRFANRHFSA-N 1 0 435.573 0.878 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001547911460 1072384424 /nfs/dbraw/zinc/38/44/24/1072384424.db2.gz BINKIRHUUGJMFB-OAQYLSRUSA-N 1 0 435.573 0.878 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCOCC[NH+](C)C)CCOC1 ZINC001547912943 1072385738 /nfs/dbraw/zinc/38/57/38/1072385738.db2.gz ILQOTNMIOCBWSR-DYESRHJHSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CCOCC[NH+](C)C)CCOC1 ZINC001547912944 1072385756 /nfs/dbraw/zinc/38/57/56/1072385756.db2.gz ILQOTNMIOCBWSR-LAUBAEHRSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCOCC[NH+](C)C)CCOC1 ZINC001547912945 1072385821 /nfs/dbraw/zinc/38/58/21/1072385821.db2.gz ILQOTNMIOCBWSR-UTKZUKDTSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CCOCC[NH+](C)C)CCOC1 ZINC001547912946 1072385778 /nfs/dbraw/zinc/38/57/78/1072385778.db2.gz ILQOTNMIOCBWSR-UWJYYQICSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001547913951 1072386089 /nfs/dbraw/zinc/38/60/89/1072386089.db2.gz XOMOQFXPMJOZLC-FQEVSTJZSA-N 1 0 438.598 0.648 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(C(C)=O)CC3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001547913953 1072386213 /nfs/dbraw/zinc/38/62/13/1072386213.db2.gz XOMOQFXPMJOZLC-HXUWFJFHSA-N 1 0 438.598 0.648 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001547914495 1072386672 /nfs/dbraw/zinc/38/66/72/1072386672.db2.gz HANGRRXDKIXTIB-DYESRHJHSA-N 1 0 430.557 0.997 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001547914496 1072386692 /nfs/dbraw/zinc/38/66/92/1072386692.db2.gz HANGRRXDKIXTIB-LAUBAEHRSA-N 1 0 430.557 0.997 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001547914497 1072386603 /nfs/dbraw/zinc/38/66/03/1072386603.db2.gz HANGRRXDKIXTIB-UTKZUKDTSA-N 1 0 430.557 0.997 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001547914498 1072386647 /nfs/dbraw/zinc/38/66/47/1072386647.db2.gz HANGRRXDKIXTIB-UWJYYQICSA-N 1 0 430.557 0.997 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC[NH+]2CCCC2)CCOC1 ZINC001547914924 1072386609 /nfs/dbraw/zinc/38/66/09/1072386609.db2.gz FBABBDIGTMRZGI-JOCHJYFZSA-N 1 0 449.600 0.236 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC[NH+]2CCCC2)CCOC1 ZINC001547914933 1072386568 /nfs/dbraw/zinc/38/65/68/1072386568.db2.gz FBABBDIGTMRZGI-QFIPXVFZSA-N 1 0 449.600 0.236 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001547914974 1072386679 /nfs/dbraw/zinc/38/66/79/1072386679.db2.gz LSDLDMIHMYOQED-HRAATJIYSA-N 1 0 446.556 0.467 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001547914978 1072386616 /nfs/dbraw/zinc/38/66/16/1072386616.db2.gz LSDLDMIHMYOQED-IERDGZPVSA-N 1 0 446.556 0.467 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001547915067 1072386641 /nfs/dbraw/zinc/38/66/41/1072386641.db2.gz LSDLDMIHMYOQED-IIBYNOLFSA-N 1 0 446.556 0.467 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001547915068 1072386596 /nfs/dbraw/zinc/38/65/96/1072386596.db2.gz LSDLDMIHMYOQED-KKSFZXQISA-N 1 0 446.556 0.467 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@H+](C)[C@H](C)CC)CCOC1 ZINC001547916062 1072387404 /nfs/dbraw/zinc/38/74/04/1072387404.db2.gz GOMTZDHSVBFQHD-CBGDNZLLSA-N 1 0 435.573 0.874 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@H+](C)[C@@H](C)CC)CCOC1 ZINC001547916064 1072387508 /nfs/dbraw/zinc/38/75/08/1072387508.db2.gz GOMTZDHSVBFQHD-CSODHUTKSA-N 1 0 435.573 0.874 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@H+](C)[C@H](C)CC)CCOC1 ZINC001547916066 1072387490 /nfs/dbraw/zinc/38/74/90/1072387490.db2.gz GOMTZDHSVBFQHD-LLGFUMIMSA-N 1 0 435.573 0.874 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@H+](C)[C@@H](C)CC)CCOC1 ZINC001547916067 1072387557 /nfs/dbraw/zinc/38/75/57/1072387557.db2.gz GOMTZDHSVBFQHD-XGHQBKJUSA-N 1 0 435.573 0.874 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916431 1072388024 /nfs/dbraw/zinc/38/80/24/1072388024.db2.gz ISTQMDYUVLROGV-DYESRHJHSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916432 1072387961 /nfs/dbraw/zinc/38/79/61/1072387961.db2.gz ISTQMDYUVLROGV-LAUBAEHRSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916433 1072388126 /nfs/dbraw/zinc/38/81/26/1072388126.db2.gz ISTQMDYUVLROGV-UTKZUKDTSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916434 1072388108 /nfs/dbraw/zinc/38/81/08/1072388108.db2.gz ISTQMDYUVLROGV-UWJYYQICSA-N 1 0 438.573 0.565 20 0 ICADRO CCO[C@@]1(c2nnc(N3CC[NH+](CC4CC4)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001547916989 1072388166 /nfs/dbraw/zinc/38/81/66/1072388166.db2.gz LXTZIHYFJOCQHG-FQEVSTJZSA-N 1 0 442.511 0.844 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[NH+](CC4CC4)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001547916990 1072388173 /nfs/dbraw/zinc/38/81/73/1072388173.db2.gz LXTZIHYFJOCQHG-HXUWFJFHSA-N 1 0 442.511 0.844 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917171 1072388470 /nfs/dbraw/zinc/38/84/70/1072388470.db2.gz NRNMTLFKIAWHHO-DYESRHJHSA-N 1 0 433.557 0.869 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917172 1072388544 /nfs/dbraw/zinc/38/85/44/1072388544.db2.gz NRNMTLFKIAWHHO-LAUBAEHRSA-N 1 0 433.557 0.869 20 0 ICADRO CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917173 1072388616 /nfs/dbraw/zinc/38/86/16/1072388616.db2.gz NRNMTLFKIAWHHO-UTKZUKDTSA-N 1 0 433.557 0.869 20 0 ICADRO CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917174 1072388649 /nfs/dbraw/zinc/38/86/49/1072388649.db2.gz NRNMTLFKIAWHHO-UWJYYQICSA-N 1 0 433.557 0.869 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCC[NH+](C)C)CCOC1 ZINC001547917399 1072389008 /nfs/dbraw/zinc/38/90/08/1072389008.db2.gz PLPTYEXAJKCYDY-DYESRHJHSA-N 1 0 436.557 0.319 20 0 ICADRO CCO[C@]1(c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCC[NH+](C)C)CCOC1 ZINC001547917401 1072389020 /nfs/dbraw/zinc/38/90/20/1072389020.db2.gz PLPTYEXAJKCYDY-LAUBAEHRSA-N 1 0 436.557 0.319 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCC[NH+](C)C)CCOC1 ZINC001547917403 1072388953 /nfs/dbraw/zinc/38/89/53/1072388953.db2.gz PLPTYEXAJKCYDY-UTKZUKDTSA-N 1 0 436.557 0.319 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCC[NH+](C)C)CCOC1 ZINC001547917405 1072389099 /nfs/dbraw/zinc/38/90/99/1072389099.db2.gz PLPTYEXAJKCYDY-UWJYYQICSA-N 1 0 436.557 0.319 20 0 ICADRO CCO[C@]1(c2nnc(N3CCNC(=O)C3)n2CC2CC[NH+](CCN(C)C)CC2)CCOC1 ZINC001547917700 1072388936 /nfs/dbraw/zinc/38/89/36/1072388936.db2.gz QVDGORDKYOEUFX-JOCHJYFZSA-N 1 0 449.600 0.140 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCNC(=O)C3)n2CC2CC[NH+](CCN(C)C)CC2)CCOC1 ZINC001547917709 1072388882 /nfs/dbraw/zinc/38/88/82/1072388882.db2.gz QVDGORDKYOEUFX-QFIPXVFZSA-N 1 0 449.600 0.140 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2C[C@]2(O)CCOC2)CCOC1 ZINC001547918349 1072389899 /nfs/dbraw/zinc/38/98/99/1072389899.db2.gz UUMBERAWQCOVRO-DUXKGJEZSA-N 1 0 439.557 0.239 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2C[C@@]2(O)CCOC2)CCOC1 ZINC001547918350 1072389930 /nfs/dbraw/zinc/38/99/30/1072389930.db2.gz UUMBERAWQCOVRO-DZFGPLHGSA-N 1 0 439.557 0.239 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2C[C@]2(O)CCOC2)CCOC1 ZINC001547918351 1072390134 /nfs/dbraw/zinc/39/01/34/1072390134.db2.gz UUMBERAWQCOVRO-IOMROCGXSA-N 1 0 439.557 0.239 20 0 ICADRO CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2C[C@@]2(O)CCOC2)CCOC1 ZINC001547918352 1072390019 /nfs/dbraw/zinc/39/00/19/1072390019.db2.gz UUMBERAWQCOVRO-JRGCBEDISA-N 1 0 439.557 0.239 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001547920371 1072391031 /nfs/dbraw/zinc/39/10/31/1072391031.db2.gz WAUDNUYEJCSPSZ-PMACEKPBSA-N 1 0 438.598 0.694 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001547920372 1072391051 /nfs/dbraw/zinc/39/10/51/1072391051.db2.gz WAUDNUYEJCSPSZ-UXHICEINSA-N 1 0 438.598 0.694 20 0 ICADRO CCO[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001547920373 1072391315 /nfs/dbraw/zinc/39/13/15/1072391315.db2.gz WAUDNUYEJCSPSZ-VQTJNVASSA-N 1 0 438.598 0.694 20 0 ICADRO CCO[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001547920374 1072391238 /nfs/dbraw/zinc/39/12/38/1072391238.db2.gz WAUDNUYEJCSPSZ-WOJBJXKFSA-N 1 0 438.598 0.694 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001547921731 1072391621 /nfs/dbraw/zinc/39/16/21/1072391621.db2.gz GBFCVFAYFJVQPQ-IBGZPJMESA-N 1 0 427.571 0.651 20 0 ICADRO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001547921732 1072391609 /nfs/dbraw/zinc/39/16/09/1072391609.db2.gz GBFCVFAYFJVQPQ-LJQANCHMSA-N 1 0 427.571 0.651 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001547924404 1072393493 /nfs/dbraw/zinc/39/34/93/1072393493.db2.gz TYKLPJGAXPPRFK-IBGZPJMESA-N 1 0 429.587 0.895 20 0 ICADRO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001547924407 1072393392 /nfs/dbraw/zinc/39/33/92/1072393392.db2.gz TYKLPJGAXPPRFK-LJQANCHMSA-N 1 0 429.587 0.895 20 0 ICADRO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001547924717 1072393432 /nfs/dbraw/zinc/39/34/32/1072393432.db2.gz WCHRUCPONSBLIF-FXAWDEMLSA-N 1 0 441.598 0.897 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001547924719 1072393467 /nfs/dbraw/zinc/39/34/67/1072393467.db2.gz WCHRUCPONSBLIF-PXNSSMCTSA-N 1 0 441.598 0.897 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001547924721 1072393450 /nfs/dbraw/zinc/39/34/50/1072393450.db2.gz WCHRUCPONSBLIF-XLIONFOSSA-N 1 0 441.598 0.897 20 0 ICADRO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001547924723 1072393647 /nfs/dbraw/zinc/39/36/47/1072393647.db2.gz WCHRUCPONSBLIF-YLJYHZDGSA-N 1 0 441.598 0.897 20 0 ICADRO CCO[C@@]1(c2nnc(N3CCS(=O)CC3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001547925997 1072394501 /nfs/dbraw/zinc/39/45/01/1072394501.db2.gz UZCNATUQEUUIMW-FQEVSTJZSA-N 1 0 441.598 0.346 20 0 ICADRO CCO[C@]1(c2nnc(N3CCS(=O)CC3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001547925998 1072394641 /nfs/dbraw/zinc/39/46/41/1072394641.db2.gz UZCNATUQEUUIMW-HXUWFJFHSA-N 1 0 441.598 0.346 20 0 ICADRO CCO[C@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001547927790 1072395552 /nfs/dbraw/zinc/39/55/52/1072395552.db2.gz XNLQUJQIROUEEL-FUHIMQAGSA-N 1 0 441.598 0.829 20 0 ICADRO CCO[C@@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001547927791 1072395657 /nfs/dbraw/zinc/39/56/57/1072395657.db2.gz XNLQUJQIROUEEL-QKLQHJQFSA-N 1 0 441.598 0.829 20 0 ICADRO CCOc1cc(C)nc(N2CCN(c3nnc(CC)n3C[C@]3(O)CC[N@H+](C)C3)CC2)n1 ZINC001547938388 1072396101 /nfs/dbraw/zinc/39/61/01/1072396101.db2.gz LGEYUKYESONPGV-NRFANRHFSA-N 1 0 430.557 0.731 20 0 ICADRO CCOc1cc(C)nc(N2CCN(c3nnc(CC)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)n1 ZINC001547938389 1072396012 /nfs/dbraw/zinc/39/60/12/1072396012.db2.gz LGEYUKYESONPGV-OAQYLSRUSA-N 1 0 430.557 0.731 20 0 ICADRO CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001547955263 1072396085 /nfs/dbraw/zinc/39/60/85/1072396085.db2.gz LCEHLAVOGTUQBC-JOCHJYFZSA-N 1 0 444.536 0.697 20 0 ICADRO CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001547955273 1072396034 /nfs/dbraw/zinc/39/60/34/1072396034.db2.gz LCEHLAVOGTUQBC-QFIPXVFZSA-N 1 0 444.536 0.697 20 0 ICADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001547981049 1072396579 /nfs/dbraw/zinc/39/65/79/1072396579.db2.gz QYSPDTUKNJKSLW-AOMKIAJQSA-N 1 0 444.536 0.820 20 0 ICADRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001547981050 1072396590 /nfs/dbraw/zinc/39/65/90/1072396590.db2.gz QYSPDTUKNJKSLW-KSFYIVLOSA-N 1 0 444.536 0.820 20 0 ICADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001547981051 1072396523 /nfs/dbraw/zinc/39/65/23/1072396523.db2.gz QYSPDTUKNJKSLW-OPAMFIHVSA-N 1 0 444.536 0.820 20 0 ICADRO CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001547981053 1072396548 /nfs/dbraw/zinc/39/65/48/1072396548.db2.gz QYSPDTUKNJKSLW-ZHRRBRCNSA-N 1 0 444.536 0.820 20 0 ICADRO CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001548036100 1072398415 /nfs/dbraw/zinc/39/84/15/1072398415.db2.gz GOTBFSNHAZGFQT-BQJIDLTASA-N 1 0 438.573 0.503 20 0 ICADRO CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001548036101 1072398538 /nfs/dbraw/zinc/39/85/38/1072398538.db2.gz GOTBFSNHAZGFQT-ZGGTZUKQSA-N 1 0 438.573 0.503 20 0 ICADRO CCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001548044479 1072401092 /nfs/dbraw/zinc/40/10/92/1072401092.db2.gz WRXIDILELZQNBK-HRAATJIYSA-N 1 0 429.525 0.997 20 0 ICADRO CCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001548044482 1072401165 /nfs/dbraw/zinc/40/11/65/1072401165.db2.gz WRXIDILELZQNBK-IERDGZPVSA-N 1 0 429.525 0.997 20 0 ICADRO CCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001548044484 1072401078 /nfs/dbraw/zinc/40/10/78/1072401078.db2.gz WRXIDILELZQNBK-IIBYNOLFSA-N 1 0 429.525 0.997 20 0 ICADRO CCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001548044486 1072401218 /nfs/dbraw/zinc/40/12/18/1072401218.db2.gz WRXIDILELZQNBK-KKSFZXQISA-N 1 0 429.525 0.997 20 0 ICADRO CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001548079167 1072402891 /nfs/dbraw/zinc/40/28/91/1072402891.db2.gz KNYHLXQCWASTKL-DLBZAZTESA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001548079169 1072402842 /nfs/dbraw/zinc/40/28/42/1072402842.db2.gz KNYHLXQCWASTKL-IAGOWNOFSA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001548079171 1072402965 /nfs/dbraw/zinc/40/29/65/1072402965.db2.gz KNYHLXQCWASTKL-IRXDYDNUSA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001548079173 1072402873 /nfs/dbraw/zinc/40/28/73/1072402873.db2.gz KNYHLXQCWASTKL-SJORKVTESA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001548094863 1072404072 /nfs/dbraw/zinc/40/40/72/1072404072.db2.gz XCDVSYBYAVHJNQ-KRWDZBQOSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001548094864 1072404014 /nfs/dbraw/zinc/40/40/14/1072404014.db2.gz XCDVSYBYAVHJNQ-QGZVFWFLSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)NC(C)C ZINC001548098622 1072404758 /nfs/dbraw/zinc/40/47/58/1072404758.db2.gz CCVQNTXSJYXVIH-HKUYNNGSSA-N 1 0 449.600 0.718 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098623 1072404801 /nfs/dbraw/zinc/40/48/01/1072404801.db2.gz CCVQNTXSJYXVIH-IEBWSBKVSA-N 1 0 449.600 0.718 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098624 1072404830 /nfs/dbraw/zinc/40/48/30/1072404830.db2.gz CCVQNTXSJYXVIH-MJGOQNOKSA-N 1 0 449.600 0.718 20 0 ICADRO CCOCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098625 1072404691 /nfs/dbraw/zinc/40/46/91/1072404691.db2.gz CCVQNTXSJYXVIH-PKOBYXMFSA-N 1 0 449.600 0.718 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098859 1072404639 /nfs/dbraw/zinc/40/46/39/1072404639.db2.gz GGWOCWXGQSOMAI-APWZRJJASA-N 1 0 445.572 0.370 20 0 ICADRO CCOCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cnnn1C ZINC001548098860 1072404775 /nfs/dbraw/zinc/40/47/75/1072404775.db2.gz GGWOCWXGQSOMAI-LPHOPBHVSA-N 1 0 445.572 0.370 20 0 ICADRO CCOCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098861 1072404623 /nfs/dbraw/zinc/40/46/23/1072404623.db2.gz GGWOCWXGQSOMAI-QFBILLFUSA-N 1 0 445.572 0.370 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098862 1072404711 /nfs/dbraw/zinc/40/47/11/1072404711.db2.gz GGWOCWXGQSOMAI-VQIMIIECSA-N 1 0 445.572 0.370 20 0 ICADRO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001548104512 1072405302 /nfs/dbraw/zinc/40/53/02/1072405302.db2.gz QQTLYWDJKRNCME-AOMKIAJQSA-N 1 0 447.536 0.952 20 0 ICADRO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001548104513 1072405460 /nfs/dbraw/zinc/40/54/60/1072405460.db2.gz QQTLYWDJKRNCME-KSFYIVLOSA-N 1 0 447.536 0.952 20 0 ICADRO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001548104514 1072405432 /nfs/dbraw/zinc/40/54/32/1072405432.db2.gz QQTLYWDJKRNCME-OPAMFIHVSA-N 1 0 447.536 0.952 20 0 ICADRO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001548104515 1072405319 /nfs/dbraw/zinc/40/53/19/1072405319.db2.gz QQTLYWDJKRNCME-ZHRRBRCNSA-N 1 0 447.536 0.952 20 0 ICADRO CCOCc1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001548109340 1072406460 /nfs/dbraw/zinc/40/64/60/1072406460.db2.gz GLDYVBAUSUMXLC-MOPGFXCFSA-N 1 0 433.601 0.947 20 0 ICADRO CCOCc1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001548109341 1072406556 /nfs/dbraw/zinc/40/65/56/1072406556.db2.gz GLDYVBAUSUMXLC-OALUTQOASA-N 1 0 433.601 0.947 20 0 ICADRO CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001548109342 1072406501 /nfs/dbraw/zinc/40/65/01/1072406501.db2.gz GLDYVBAUSUMXLC-RBUKOAKNSA-N 1 0 433.601 0.947 20 0 ICADRO CCOCc1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001548109343 1072407027 /nfs/dbraw/zinc/40/70/27/1072407027.db2.gz GLDYVBAUSUMXLC-RTBURBONSA-N 1 0 433.601 0.947 20 0 ICADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001548123937 1072408167 /nfs/dbraw/zinc/40/81/67/1072408167.db2.gz JZPCXIFFHCKZNW-FQEVSTJZSA-N 1 0 443.614 0.921 20 0 ICADRO CCOCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001548123938 1072408153 /nfs/dbraw/zinc/40/81/53/1072408153.db2.gz JZPCXIFFHCKZNW-HXUWFJFHSA-N 1 0 443.614 0.921 20 0 ICADRO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001548127032 1072408738 /nfs/dbraw/zinc/40/87/38/1072408738.db2.gz SSHVAEJFJBJRCJ-UHFFFAOYSA-N 1 0 426.587 0.842 20 0 ICADRO CCOCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001548127791 1072409260 /nfs/dbraw/zinc/40/92/60/1072409260.db2.gz QZQPLBGDXVUDPO-UHFFFAOYSA-N 1 0 446.643 0.724 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCN1CCOC[C@@H]1C ZINC001548130971 1072409886 /nfs/dbraw/zinc/40/98/86/1072409886.db2.gz MSLJLHLGQYBKDL-PMACEKPBSA-N 1 0 435.617 0.752 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCN1CCOC[C@H]1C ZINC001548130972 1072409823 /nfs/dbraw/zinc/40/98/23/1072409823.db2.gz MSLJLHLGQYBKDL-UXHICEINSA-N 1 0 435.617 0.752 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCN1CCOC[C@@H]1C ZINC001548131074 1072409942 /nfs/dbraw/zinc/40/99/42/1072409942.db2.gz MSLJLHLGQYBKDL-VQTJNVASSA-N 1 0 435.617 0.752 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCN1CCOC[C@H]1C ZINC001548131077 1072409918 /nfs/dbraw/zinc/40/99/18/1072409918.db2.gz MSLJLHLGQYBKDL-WOJBJXKFSA-N 1 0 435.617 0.752 20 0 ICADRO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001548131166 1072409875 /nfs/dbraw/zinc/40/98/75/1072409875.db2.gz NUUQRLLKTRWNED-UHFFFAOYSA-N 1 0 448.616 0.836 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCCN1CCOCC1 ZINC001548131266 1072409808 /nfs/dbraw/zinc/40/98/08/1072409808.db2.gz QBQZIXHKFVJWHK-FQEVSTJZSA-N 1 0 435.617 0.753 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCCN1CCOCC1 ZINC001548131267 1072409906 /nfs/dbraw/zinc/40/99/06/1072409906.db2.gz QBQZIXHKFVJWHK-HXUWFJFHSA-N 1 0 435.617 0.753 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCS(=O)(=O)CC ZINC001548131478 1072410217 /nfs/dbraw/zinc/41/02/17/1072410217.db2.gz RJRQAHLDGKPCAG-GOSISDBHSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCS(=O)(=O)CC ZINC001548131480 1072410403 /nfs/dbraw/zinc/41/04/03/1072410403.db2.gz RJRQAHLDGKPCAG-SFHVURJKSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(=O)NCC(F)F ZINC001548131709 1072410352 /nfs/dbraw/zinc/41/03/52/1072410352.db2.gz UUMLBYZYSJGGOD-HNNXBMFYSA-N 1 0 429.516 0.412 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC(=O)NCC(F)F ZINC001548131710 1072410382 /nfs/dbraw/zinc/41/03/82/1072410382.db2.gz UUMLBYZYSJGGOD-OAHLLOKOSA-N 1 0 429.516 0.412 20 0 ICADRO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001548134676 1072410972 /nfs/dbraw/zinc/41/09/72/1072410972.db2.gz OAZFEYPVIMMGLI-KRWDZBQOSA-N 1 0 435.573 0.919 20 0 ICADRO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001548134677 1072411041 /nfs/dbraw/zinc/41/10/41/1072411041.db2.gz OAZFEYPVIMMGLI-QGZVFWFLSA-N 1 0 435.573 0.919 20 0 ICADRO CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001548135380 1072411553 /nfs/dbraw/zinc/41/15/53/1072411553.db2.gz WOWDJJRMDBDCCX-UHFFFAOYSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001548136509 1072411645 /nfs/dbraw/zinc/41/16/45/1072411645.db2.gz ZMQLCWHDRWAYIW-DLBZAZTESA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001548136510 1072411659 /nfs/dbraw/zinc/41/16/59/1072411659.db2.gz ZMQLCWHDRWAYIW-IAGOWNOFSA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001548136511 1072411583 /nfs/dbraw/zinc/41/15/83/1072411583.db2.gz ZMQLCWHDRWAYIW-IRXDYDNUSA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001548136512 1072411487 /nfs/dbraw/zinc/41/14/87/1072411487.db2.gz ZMQLCWHDRWAYIW-SJORKVTESA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001548149882 1072413292 /nfs/dbraw/zinc/41/32/92/1072413292.db2.gz DVHQQCZYKRJLIN-CVEARBPZSA-N 1 0 431.545 0.688 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001548149883 1072413228 /nfs/dbraw/zinc/41/32/28/1072413228.db2.gz DVHQQCZYKRJLIN-HOTGVXAUSA-N 1 0 431.545 0.688 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001548149884 1072413217 /nfs/dbraw/zinc/41/32/17/1072413217.db2.gz DVHQQCZYKRJLIN-HZPDHXFCSA-N 1 0 431.545 0.688 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001548149885 1072413335 /nfs/dbraw/zinc/41/33/35/1072413335.db2.gz DVHQQCZYKRJLIN-JKSUJKDBSA-N 1 0 431.545 0.688 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001548151516 1072413705 /nfs/dbraw/zinc/41/37/05/1072413705.db2.gz RDMVEACYXGRQDO-CVEARBPZSA-N 1 0 431.545 0.687 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001548151517 1072413742 /nfs/dbraw/zinc/41/37/42/1072413742.db2.gz RDMVEACYXGRQDO-HOTGVXAUSA-N 1 0 431.545 0.687 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001548151518 1072413673 /nfs/dbraw/zinc/41/36/73/1072413673.db2.gz RDMVEACYXGRQDO-HZPDHXFCSA-N 1 0 431.545 0.687 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001548151519 1072413724 /nfs/dbraw/zinc/41/37/24/1072413724.db2.gz RDMVEACYXGRQDO-JKSUJKDBSA-N 1 0 431.545 0.687 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC[NH+]1CCCCC1 ZINC001548151779 1072413717 /nfs/dbraw/zinc/41/37/17/1072413717.db2.gz STOJUSIFEQASBY-INIZCTEOSA-N 1 0 431.545 0.832 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CC[NH+]1CCCCC1 ZINC001548151781 1072413701 /nfs/dbraw/zinc/41/37/01/1072413701.db2.gz STOJUSIFEQASBY-MRXNPFEDSA-N 1 0 431.545 0.832 20 0 ICADRO CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N1CCOCC1 ZINC001548162917 1072415006 /nfs/dbraw/zinc/41/50/06/1072415006.db2.gz ATDGYLHWPDAROR-UHFFFAOYSA-N 1 0 446.556 0.119 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001548163774 1072415058 /nfs/dbraw/zinc/41/50/58/1072415058.db2.gz FLHWDIZJOBMGDN-KRWDZBQOSA-N 1 0 429.587 0.798 20 0 ICADRO CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001548163915 1072415035 /nfs/dbraw/zinc/41/50/35/1072415035.db2.gz QJMLGRFWBIMLAK-IBGZPJMESA-N 1 0 446.600 0.981 20 0 ICADRO CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001548163917 1072415021 /nfs/dbraw/zinc/41/50/21/1072415021.db2.gz QJMLGRFWBIMLAK-LJQANCHMSA-N 1 0 446.600 0.981 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001548164323 1072415066 /nfs/dbraw/zinc/41/50/66/1072415066.db2.gz WHSCNHNRUKVQSB-SFHVURJKSA-N 1 0 436.557 0.222 20 0 ICADRO CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCNC(=O)C1CC1 ZINC001548164400 1072415072 /nfs/dbraw/zinc/41/50/72/1072415072.db2.gz XOZHWZDDRCBGKN-UHFFFAOYSA-N 1 0 430.557 0.787 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@H+](CC)C1CC1 ZINC001548164418 1072414991 /nfs/dbraw/zinc/41/49/91/1072414991.db2.gz AJBOJTNYDOWBAN-UHFFFAOYSA-N 1 0 447.584 0.570 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001548164476 1072415455 /nfs/dbraw/zinc/41/54/55/1072415455.db2.gz BKJGUHYFLOLPTJ-GOSISDBHSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001548164479 1072415420 /nfs/dbraw/zinc/41/54/20/1072415420.db2.gz BKJGUHYFLOLPTJ-SFHVURJKSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001548164529 1072415445 /nfs/dbraw/zinc/41/54/45/1072415445.db2.gz CIAJUMCZJYZTPI-UHFFFAOYSA-N 1 0 437.589 0.718 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001548164693 1072415425 /nfs/dbraw/zinc/41/54/25/1072415425.db2.gz IODXZSGJGUAGQP-GOSISDBHSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001548164694 1072415429 /nfs/dbraw/zinc/41/54/29/1072415429.db2.gz IODXZSGJGUAGQP-SFHVURJKSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCC[NH+]1CCCC1 ZINC001548164805 1072415434 /nfs/dbraw/zinc/41/54/34/1072415434.db2.gz MPYMGSSQHBBLDE-UHFFFAOYSA-N 1 0 433.557 0.228 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001548165030 1072416088 /nfs/dbraw/zinc/41/60/88/1072416088.db2.gz VURFULCTWDXUFQ-UHFFFAOYSA-N 1 0 449.600 0.864 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001548165075 1072416094 /nfs/dbraw/zinc/41/60/94/1072416094.db2.gz XGVJVQYJCSCBGX-UHFFFAOYSA-N 1 0 435.573 0.472 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001548165120 1072416073 /nfs/dbraw/zinc/41/60/73/1072416073.db2.gz YMMBEZALEMSKQV-UHFFFAOYSA-N 1 0 447.584 0.618 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001548165131 1072416008 /nfs/dbraw/zinc/41/60/08/1072416008.db2.gz ZAQZXOZJXVFRBR-UHFFFAOYSA-N 1 0 433.557 0.226 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1cnn(CC)c1 ZINC001548165246 1072415951 /nfs/dbraw/zinc/41/59/51/1072415951.db2.gz CNHPGFAGQMGVOW-GOSISDBHSA-N 1 0 430.557 0.822 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1cnn(CC)c1 ZINC001548165247 1072416076 /nfs/dbraw/zinc/41/60/76/1072416076.db2.gz CNHPGFAGQMGVOW-SFHVURJKSA-N 1 0 430.557 0.822 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@]1(OC)CCOC1 ZINC001548165623 1072416026 /nfs/dbraw/zinc/41/60/26/1072416026.db2.gz LOGUOVUKUVPIOS-DYESRHJHSA-N 1 0 436.557 0.363 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@]1(OC)CCOC1 ZINC001548165624 1072416465 /nfs/dbraw/zinc/41/64/65/1072416465.db2.gz LOGUOVUKUVPIOS-LAUBAEHRSA-N 1 0 436.557 0.363 20 0 ICADRO 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CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCN1CCOC[C@H]1C ZINC001548165947 1072416585 /nfs/dbraw/zinc/41/65/85/1072416585.db2.gz QHWICOCIFJAFFO-RTBURBONSA-N 1 0 449.600 0.278 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCN1CCOCC1 ZINC001548166173 1072416533 /nfs/dbraw/zinc/41/65/33/1072416533.db2.gz UZXNHRCYLZPENI-IBGZPJMESA-N 1 0 449.600 0.280 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCN1CCOCC1 ZINC001548166178 1072416601 /nfs/dbraw/zinc/41/66/01/1072416601.db2.gz UZXNHRCYLZPENI-LJQANCHMSA-N 1 0 449.600 0.280 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCn1ccnn1 ZINC001548166767 1072417383 /nfs/dbraw/zinc/41/73/83/1072417383.db2.gz GQWYUBUZZHDZNM-UHFFFAOYSA-N 1 0 431.545 0.241 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001548166789 1072417381 /nfs/dbraw/zinc/41/73/81/1072417381.db2.gz HHAXLCVDVXHUJU-ZWKOTPCHSA-N 1 0 436.557 0.099 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[N@H+]1CC=CCC1 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LPDOHEKLHROWQB-GOSISDBHSA-N 1 0 435.573 0.873 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001548167503 1072417951 /nfs/dbraw/zinc/41/79/51/1072417951.db2.gz LPDOHEKLHROWQB-SFHVURJKSA-N 1 0 435.573 0.873 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001548167611 1072417815 /nfs/dbraw/zinc/41/78/15/1072417815.db2.gz XVSXAGNVTOCEFB-GOSISDBHSA-N 1 0 437.589 0.136 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001548167614 1072417906 /nfs/dbraw/zinc/41/79/06/1072417906.db2.gz XVSXAGNVTOCEFB-SFHVURJKSA-N 1 0 437.589 0.136 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001548167662 1072417863 /nfs/dbraw/zinc/41/78/63/1072417863.db2.gz NXCWTKYKCRFODC-GOSISDBHSA-N 1 0 435.573 0.873 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001548167665 1072417859 /nfs/dbraw/zinc/41/78/59/1072417859.db2.gz NXCWTKYKCRFODC-SFHVURJKSA-N 1 0 435.573 0.873 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[N@H+](CC)C1CC1 ZINC001548168144 1072418417 /nfs/dbraw/zinc/41/84/17/1072418417.db2.gz YTXMMDJRNZSMOU-UHFFFAOYSA-N 1 0 435.573 0.873 20 0 ICADRO CCOCc1nnc(N2CCN(C(C)=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001548169197 1072418545 /nfs/dbraw/zinc/41/85/45/1072418545.db2.gz RWXFRUNUWCNDAP-GOSISDBHSA-N 1 0 435.573 0.426 20 0 ICADRO CCOCc1nnc(N2CCN(C(C)=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001548169198 1072418425 /nfs/dbraw/zinc/41/84/25/1072418425.db2.gz RWXFRUNUWCNDAP-SFHVURJKSA-N 1 0 435.573 0.426 20 0 ICADRO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001548171626 1072419014 /nfs/dbraw/zinc/41/90/14/1072419014.db2.gz LYSVYSFGBISSFU-KRWDZBQOSA-N 1 0 442.568 0.977 20 0 ICADRO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001548171628 1072418988 /nfs/dbraw/zinc/41/89/88/1072418988.db2.gz LYSVYSFGBISSFU-QGZVFWFLSA-N 1 0 442.568 0.977 20 0 ICADRO CCOCc1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001548174450 1072420185 /nfs/dbraw/zinc/42/01/85/1072420185.db2.gz KWDIXRZSKRAKFR-NRFANRHFSA-N 1 0 430.557 0.615 20 0 ICADRO CCOCc1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001548174453 1072420129 /nfs/dbraw/zinc/42/01/29/1072420129.db2.gz KWDIXRZSKRAKFR-OAQYLSRUSA-N 1 0 430.557 0.615 20 0 ICADRO CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001548175439 1072420221 /nfs/dbraw/zinc/42/02/21/1072420221.db2.gz KMPZFKMKHTZRIY-FQEVSTJZSA-N 1 0 437.614 0.885 20 0 ICADRO CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001548175442 1072420087 /nfs/dbraw/zinc/42/00/87/1072420087.db2.gz KMPZFKMKHTZRIY-HXUWFJFHSA-N 1 0 437.614 0.885 20 0 ICADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCNS(C)(=O)=O ZINC001548176694 1072420713 /nfs/dbraw/zinc/42/07/13/1072420713.db2.gz REIXLNIJVZFKBZ-MRXNPFEDSA-N 1 0 444.602 0.443 20 0 ICADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCNS(C)(=O)=O ZINC001548176698 1072420806 /nfs/dbraw/zinc/42/08/06/1072420806.db2.gz RJENWEBGCJKLRA-OAHLLOKOSA-N 1 0 430.575 0.053 20 0 ICADRO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCNC(=O)c1ccn[nH]1 ZINC001548176813 1072420819 /nfs/dbraw/zinc/42/08/19/1072420819.db2.gz WOQRMKGFJSAXEO-INIZCTEOSA-N 1 0 446.556 0.657 20 0 ICADRO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001548178078 1072421274 /nfs/dbraw/zinc/42/12/74/1072421274.db2.gz VXBBOUIBJGIBBD-GOSISDBHSA-N 1 0 433.601 0.946 20 0 ICADRO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001548178079 1072422031 /nfs/dbraw/zinc/42/20/31/1072422031.db2.gz VXBBOUIBJGIBBD-SFHVURJKSA-N 1 0 433.601 0.946 20 0 ICADRO CCOCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001548179400 1072421982 /nfs/dbraw/zinc/42/19/82/1072421982.db2.gz WECGECZHKBBSEG-INIZCTEOSA-N 1 0 446.643 0.724 20 0 ICADRO CCOCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001548179401 1072422068 /nfs/dbraw/zinc/42/20/68/1072422068.db2.gz WECGECZHKBBSEG-MRXNPFEDSA-N 1 0 446.643 0.724 20 0 ICADRO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001548179527 1072422075 /nfs/dbraw/zinc/42/20/75/1072422075.db2.gz QNIYULFZOXOVHU-UHFFFAOYSA-N 1 0 449.600 0.326 20 0 ICADRO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001548181225 1072422378 /nfs/dbraw/zinc/42/23/78/1072422378.db2.gz ABMOWORGBMWXGC-UHFFFAOYSA-N 1 0 430.575 0.007 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001548181320 1072422450 /nfs/dbraw/zinc/42/24/50/1072422450.db2.gz COYHJUYGKVGFIE-INIZCTEOSA-N 1 0 433.557 0.226 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001548181321 1072422417 /nfs/dbraw/zinc/42/24/17/1072422417.db2.gz COYHJUYGKVGFIE-MRXNPFEDSA-N 1 0 433.557 0.226 20 0 ICADRO CCOCc1nnc(N2CCN(CCOC)C(=O)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001548181376 1072422456 /nfs/dbraw/zinc/42/24/56/1072422456.db2.gz NFEUYARBTNCPNV-UHFFFAOYSA-N 1 0 438.573 0.345 20 0 ICADRO CCOCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181606 1072423076 /nfs/dbraw/zinc/42/30/76/1072423076.db2.gz PUFOXYIEHULGGT-MOPGFXCFSA-N 1 0 449.600 0.324 20 0 ICADRO CCOCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181608 1072423055 /nfs/dbraw/zinc/42/30/55/1072423055.db2.gz PUFOXYIEHULGGT-RTBURBONSA-N 1 0 449.600 0.324 20 0 ICADRO CCOCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC(=O)N(C)C ZINC001548182152 1072423511 /nfs/dbraw/zinc/42/35/11/1072423511.db2.gz VMWXYCUAHHWBKU-GOSISDBHSA-N 1 0 437.589 0.134 20 0 ICADRO CCOCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC(=O)N(C)C ZINC001548182155 1072423497 /nfs/dbraw/zinc/42/34/97/1072423497.db2.gz VMWXYCUAHHWBKU-SFHVURJKSA-N 1 0 437.589 0.134 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001548182390 1072424046 /nfs/dbraw/zinc/42/40/46/1072424046.db2.gz IQXUIMFVKMYARF-BBWFWOEESA-N 1 0 435.573 0.916 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001548182395 1072423924 /nfs/dbraw/zinc/42/39/24/1072423924.db2.gz IQXUIMFVKMYARF-BRWVUGGUSA-N 1 0 435.573 0.916 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001548182397 1072424070 /nfs/dbraw/zinc/42/40/70/1072424070.db2.gz IQXUIMFVKMYARF-IXDOHACOSA-N 1 0 435.573 0.916 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001548182399 1072424018 /nfs/dbraw/zinc/42/40/18/1072424018.db2.gz IQXUIMFVKMYARF-YESZJQIVSA-N 1 0 435.573 0.916 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001548183522 1072425037 /nfs/dbraw/zinc/42/50/37/1072425037.db2.gz PGWTVTPWYVMIQS-MOPGFXCFSA-N 1 0 448.616 0.644 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001548183523 1072425069 /nfs/dbraw/zinc/42/50/69/1072425069.db2.gz PGWTVTPWYVMIQS-OALUTQOASA-N 1 0 448.616 0.644 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001548183524 1072425085 /nfs/dbraw/zinc/42/50/85/1072425085.db2.gz PGWTVTPWYVMIQS-RBUKOAKNSA-N 1 0 448.616 0.644 20 0 ICADRO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001548183525 1072425016 /nfs/dbraw/zinc/42/50/16/1072425016.db2.gz PGWTVTPWYVMIQS-RTBURBONSA-N 1 0 448.616 0.644 20 0 ICADRO CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001548184754 1072426268 /nfs/dbraw/zinc/42/62/68/1072426268.db2.gz CCHMRRYCNYYNLK-IBGZPJMESA-N 1 0 428.537 0.824 20 0 ICADRO CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001548184755 1072426301 /nfs/dbraw/zinc/42/63/01/1072426301.db2.gz CCHMRRYCNYYNLK-LJQANCHMSA-N 1 0 428.537 0.824 20 0 ICADRO CCOCc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001548190820 1072426778 /nfs/dbraw/zinc/42/67/78/1072426778.db2.gz JJFYWSAQTDKVOX-IBGZPJMESA-N 1 0 433.557 0.763 20 0 ICADRO CCOCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001548190821 1072426846 /nfs/dbraw/zinc/42/68/46/1072426846.db2.gz JJFYWSAQTDKVOX-LJQANCHMSA-N 1 0 433.557 0.763 20 0 ICADRO CCOCc1nnc(N2CCS(=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001548194668 1072427800 /nfs/dbraw/zinc/42/78/00/1072427800.db2.gz WNCZVZOEYBEBBW-IBGZPJMESA-N 1 0 433.578 0.998 20 0 ICADRO CCOCc1nnc(N2CCS(=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001548194669 1072427850 /nfs/dbraw/zinc/42/78/50/1072427850.db2.gz WNCZVZOEYBEBBW-LJQANCHMSA-N 1 0 433.578 0.998 20 0 ICADRO CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001548244410 1072430586 /nfs/dbraw/zinc/43/05/86/1072430586.db2.gz MFFOGXMDVMKAAQ-KRWDZBQOSA-N 1 0 433.557 0.400 20 0 ICADRO CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001548244412 1072431355 /nfs/dbraw/zinc/43/13/55/1072431355.db2.gz MFFOGXMDVMKAAQ-QGZVFWFLSA-N 1 0 433.557 0.400 20 0 ICADRO CCOCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001548255201 1072432218 /nfs/dbraw/zinc/43/22/18/1072432218.db2.gz ZFYFFCVVSBTFOH-INIZCTEOSA-N 1 0 429.587 0.764 20 0 ICADRO CCOCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001548255202 1072432177 /nfs/dbraw/zinc/43/21/77/1072432177.db2.gz ZFYFFCVVSBTFOH-MRXNPFEDSA-N 1 0 429.587 0.764 20 0 ICADRO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001548271639 1072434603 /nfs/dbraw/zinc/43/46/03/1072434603.db2.gz FUMTWYIXKZCJST-KRWDZBQOSA-N 1 0 444.602 0.426 20 0 ICADRO CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001548271648 1072434482 /nfs/dbraw/zinc/43/44/82/1072434482.db2.gz FUMTWYIXKZCJST-QGZVFWFLSA-N 1 0 444.602 0.426 20 0 ICADRO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001548273154 1072435032 /nfs/dbraw/zinc/43/50/32/1072435032.db2.gz PAQMWKVVIFDLFH-KRWDZBQOSA-N 1 0 442.586 0.180 20 0 ICADRO CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001548273155 1072434943 /nfs/dbraw/zinc/43/49/43/1072434943.db2.gz PAQMWKVVIFDLFH-QGZVFWFLSA-N 1 0 442.586 0.180 20 0 ICADRO CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001548273595 1072434913 /nfs/dbraw/zinc/43/49/13/1072434913.db2.gz TZNIHSMNJJMRIO-GOSISDBHSA-N 1 0 441.598 0.765 20 0 ICADRO CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001548273596 1072434995 /nfs/dbraw/zinc/43/49/95/1072434995.db2.gz TZNIHSMNJJMRIO-SFHVURJKSA-N 1 0 441.598 0.765 20 0 ICADRO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001548273892 1072435057 /nfs/dbraw/zinc/43/50/57/1072435057.db2.gz XOWJANVMFJODFZ-BBWFWOEESA-N 1 0 444.602 0.566 20 0 ICADRO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001548273893 1072434956 /nfs/dbraw/zinc/43/49/56/1072434956.db2.gz XOWJANVMFJODFZ-IKGGRYGDSA-N 1 0 444.602 0.566 20 0 ICADRO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001548273894 1072434920 /nfs/dbraw/zinc/43/49/20/1072434920.db2.gz XOWJANVMFJODFZ-ULQDDVLXSA-N 1 0 444.602 0.566 20 0 ICADRO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001548273895 1072435091 /nfs/dbraw/zinc/43/50/91/1072435091.db2.gz XOWJANVMFJODFZ-ZACQAIPSSA-N 1 0 444.602 0.566 20 0 ICADRO CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001548283318 1072436294 /nfs/dbraw/zinc/43/62/94/1072436294.db2.gz BKDPCPUYQLUFLH-IBGZPJMESA-N 1 0 449.600 0.235 20 0 ICADRO CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001548283365 1072436304 /nfs/dbraw/zinc/43/63/04/1072436304.db2.gz BKDPCPUYQLUFLH-LJQANCHMSA-N 1 0 449.600 0.235 20 0 ICADRO CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283559 1072436710 /nfs/dbraw/zinc/43/67/10/1072436710.db2.gz FDAJQILRTAFOKV-LEWJYISDSA-N 1 0 449.644 0.967 20 0 ICADRO CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283560 1072436867 /nfs/dbraw/zinc/43/68/67/1072436867.db2.gz FDAJQILRTAFOKV-NHCUHLMSSA-N 1 0 449.644 0.967 20 0 ICADRO CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283561 1072436669 /nfs/dbraw/zinc/43/66/69/1072436669.db2.gz FDAJQILRTAFOKV-RTWAWAEBSA-N 1 0 449.644 0.967 20 0 ICADRO CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001548283562 1072436789 /nfs/dbraw/zinc/43/67/89/1072436789.db2.gz FDAJQILRTAFOKV-SFTDATJTSA-N 1 0 449.644 0.967 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@@H]1CC ZINC001548284760 1072436914 /nfs/dbraw/zinc/43/69/14/1072436914.db2.gz PNWYNGFJBALAEB-KSZLIROESA-N 1 0 436.557 0.582 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@H]1CC ZINC001548284763 1072437641 /nfs/dbraw/zinc/43/76/41/1072437641.db2.gz PNWYNGFJBALAEB-KURKYZTESA-N 1 0 436.557 0.582 20 0 ICADRO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@H]1CC ZINC001548284765 1072437548 /nfs/dbraw/zinc/43/75/48/1072437548.db2.gz PNWYNGFJBALAEB-KZNAEPCWSA-N 1 0 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CCOCCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001548286212 1072438205 /nfs/dbraw/zinc/43/82/05/1072438205.db2.gz YIFJSHYNNXEGSS-IBGZPJMESA-N 1 0 433.601 0.901 20 0 ICADRO CCOCCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001548286213 1072438335 /nfs/dbraw/zinc/43/83/35/1072438335.db2.gz YIFJSHYNNXEGSS-LJQANCHMSA-N 1 0 433.601 0.901 20 0 ICADRO CCOCCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001548291379 1072438903 /nfs/dbraw/zinc/43/89/03/1072438903.db2.gz YJCWKUDXQVTZAS-LAUBAEHRSA-N 1 0 436.557 0.099 20 0 ICADRO CCOCCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001548291380 1072438800 /nfs/dbraw/zinc/43/88/00/1072438800.db2.gz YJCWKUDXQVTZAS-UWJYYQICSA-N 1 0 436.557 0.099 20 0 ICADRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001548294878 1072439881 /nfs/dbraw/zinc/43/98/81/1072439881.db2.gz OJRNPBCACXNMBU-FQEVSTJZSA-N 1 0 434.566 0.810 20 0 ICADRO 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CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001548300402 1072440917 /nfs/dbraw/zinc/44/09/17/1072440917.db2.gz GDCDXHXEANXKEX-IMJJTQAJSA-N 1 0 426.587 0.829 20 0 ICADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C1CC1)[NH+](C)C ZINC001548300404 1072440983 /nfs/dbraw/zinc/44/09/83/1072440983.db2.gz GDCDXHXEANXKEX-NUEKZKHPSA-N 1 0 426.587 0.829 20 0 ICADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001548301397 1072441595 /nfs/dbraw/zinc/44/15/95/1072441595.db2.gz KLCBJOQEJQUVEC-JXFKEZNVSA-N 1 0 436.582 0.975 20 0 ICADRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001548301400 1072441720 /nfs/dbraw/zinc/44/17/20/1072441720.db2.gz KLCBJOQEJQUVEC-OXJNMPFZSA-N 1 0 436.582 0.975 20 0 ICADRO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001548301402 1072441636 /nfs/dbraw/zinc/44/16/36/1072441636.db2.gz KLCBJOQEJQUVEC-OXQOHEQNSA-N 1 0 436.582 0.975 20 0 ICADRO 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CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001552700965 1072492203 /nfs/dbraw/zinc/49/22/03/1072492203.db2.gz KNZOKHPRUAEWBV-GOSISDBHSA-N 1 0 447.584 0.742 20 0 ICADRO CN(C)C(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 ZINC001552712581 1072492841 /nfs/dbraw/zinc/49/28/41/1072492841.db2.gz FCPFEBHFNXBIAK-UHFFFAOYSA-N 1 0 441.580 0.958 20 0 ICADRO CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001552713400 1072492966 /nfs/dbraw/zinc/49/29/66/1072492966.db2.gz OUAFOKCJUKFKKQ-GOSISDBHSA-N 1 0 447.584 0.427 20 0 ICADRO CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001552715743 1072493511 /nfs/dbraw/zinc/49/35/11/1072493511.db2.gz BWQMYSVTBDQSSK-GOSISDBHSA-N 1 0 447.584 0.789 20 0 ICADRO CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001552715744 1072493523 /nfs/dbraw/zinc/49/35/23/1072493523.db2.gz BWQMYSVTBDQSSK-SFHVURJKSA-N 1 0 447.584 0.789 20 0 ICADRO CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001552716624 1072493558 /nfs/dbraw/zinc/49/35/58/1072493558.db2.gz IVEKSVGZZSSHPY-UHFFFAOYSA-N 1 0 430.557 0.706 20 0 ICADRO CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001552717020 1072493425 /nfs/dbraw/zinc/49/34/25/1072493425.db2.gz GMEKYWFZAHSSIU-DLBZAZTESA-N 1 0 433.557 0.003 20 0 ICADRO CN(C)C(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001552717023 1072493476 /nfs/dbraw/zinc/49/34/76/1072493476.db2.gz GMEKYWFZAHSSIU-IAGOWNOFSA-N 1 0 433.557 0.003 20 0 ICADRO CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001552717025 1072493584 /nfs/dbraw/zinc/49/35/84/1072493584.db2.gz GMEKYWFZAHSSIU-IRXDYDNUSA-N 1 0 433.557 0.003 20 0 ICADRO CN(C)C(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001552717027 1072493313 /nfs/dbraw/zinc/49/33/13/1072493313.db2.gz GMEKYWFZAHSSIU-SJORKVTESA-N 1 0 433.557 0.003 20 0 ICADRO CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001552720103 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BMUHWIFWKCFFND-GOSISDBHSA-N 1 0 440.552 0.095 20 0 ICADRO CN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001552730837 1072497212 /nfs/dbraw/zinc/49/72/12/1072497212.db2.gz BMUHWIFWKCFFND-SFHVURJKSA-N 1 0 440.552 0.095 20 0 ICADRO CN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001552731497 1072497271 /nfs/dbraw/zinc/49/72/71/1072497271.db2.gz IMAVLBZLLFXNQT-MOPGFXCFSA-N 1 0 428.537 0.726 20 0 ICADRO CN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001552731498 1072497013 /nfs/dbraw/zinc/49/70/13/1072497013.db2.gz IMAVLBZLLFXNQT-OALUTQOASA-N 1 0 428.537 0.726 20 0 ICADRO CN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001552731499 1072497121 /nfs/dbraw/zinc/49/71/21/1072497121.db2.gz IMAVLBZLLFXNQT-RBUKOAKNSA-N 1 0 428.537 0.726 20 0 ICADRO CN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001552731500 1072497174 /nfs/dbraw/zinc/49/71/74/1072497174.db2.gz IMAVLBZLLFXNQT-RTBURBONSA-N 1 0 428.537 0.726 20 0 ICADRO CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001552736038 1072498912 /nfs/dbraw/zinc/49/89/12/1072498912.db2.gz GCKMXQUDFAOXNT-UHFFFAOYSA-N 1 0 445.593 0.763 20 0 ICADRO CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001552736123 1072499105 /nfs/dbraw/zinc/49/91/05/1072499105.db2.gz GUONPGOSDHFHIZ-IBGZPJMESA-N 1 0 427.553 0.901 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001552738535 1072499689 /nfs/dbraw/zinc/49/96/89/1072499689.db2.gz HFNXJMAZCGYOIB-UHFFFAOYSA-N 1 0 429.573 0.375 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001552738578 1072499856 /nfs/dbraw/zinc/49/98/56/1072499856.db2.gz IEEUKLPZFHMVBK-GOSISDBHSA-N 1 0 427.557 0.286 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001552738580 1072499653 /nfs/dbraw/zinc/49/96/53/1072499653.db2.gz IEEUKLPZFHMVBK-SFHVURJKSA-N 1 0 427.557 0.286 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001552738710 1072499705 /nfs/dbraw/zinc/49/97/05/1072499705.db2.gz FDVCLZRVYAUJCI-UHFFFAOYSA-N 1 0 446.600 0.209 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001552739178 1072500228 /nfs/dbraw/zinc/50/02/28/1072500228.db2.gz MODUOMJZGQYFCI-UHFFFAOYSA-N 1 0 429.573 0.375 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001552739248 1072500336 /nfs/dbraw/zinc/50/03/36/1072500336.db2.gz NSCHWLVZXJAJSX-GOSISDBHSA-N 1 0 433.601 0.867 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001552739250 1072500214 /nfs/dbraw/zinc/50/02/14/1072500214.db2.gz NSCHWLVZXJAJSX-SFHVURJKSA-N 1 0 433.601 0.867 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001552740536 1072500891 /nfs/dbraw/zinc/50/08/91/1072500891.db2.gz WDXSYQOOCABGGO-IBGZPJMESA-N 1 0 433.601 0.868 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001552740538 1072500874 /nfs/dbraw/zinc/50/08/74/1072500874.db2.gz WDXSYQOOCABGGO-LJQANCHMSA-N 1 0 433.601 0.868 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001552742027 1072501486 /nfs/dbraw/zinc/50/14/86/1072501486.db2.gz AVBIYNZMIXQJNK-IBGZPJMESA-N 1 0 433.601 0.288 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001552742029 1072501349 /nfs/dbraw/zinc/50/13/49/1072501349.db2.gz AVBIYNZMIXQJNK-LJQANCHMSA-N 1 0 433.601 0.288 20 0 ICADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nnc(C(C)(C)C)n1CC[NH+]1CCCC1)C2 ZINC001552743484 1072501772 /nfs/dbraw/zinc/50/17/72/1072501772.db2.gz PTGHTDDUZHYSNO-UHFFFAOYSA-N 1 0 445.572 0.138 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)C1CC1 ZINC001552763780 1072502332 /nfs/dbraw/zinc/50/23/32/1072502332.db2.gz YAANTHWOAVFLFE-CVEARBPZSA-N 1 0 446.568 0.908 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)C1CC1 ZINC001552763781 1072502526 /nfs/dbraw/zinc/50/25/26/1072502526.db2.gz YAANTHWOAVFLFE-HOTGVXAUSA-N 1 0 446.568 0.908 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)C1CC1 ZINC001552763782 1072502434 /nfs/dbraw/zinc/50/24/34/1072502434.db2.gz YAANTHWOAVFLFE-HZPDHXFCSA-N 1 0 446.568 0.908 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)C1CC1 ZINC001552763783 1072502236 /nfs/dbraw/zinc/50/22/36/1072502236.db2.gz YAANTHWOAVFLFE-JKSUJKDBSA-N 1 0 446.568 0.908 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1)c1cccc(F)c1 ZINC001552766631 1072502358 /nfs/dbraw/zinc/50/23/58/1072502358.db2.gz QYDQWJLNUKTFGF-BHYGNILZSA-N 1 0 429.500 0.983 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1)c1cccc(F)c1 ZINC001552766632 1072502266 /nfs/dbraw/zinc/50/22/66/1072502266.db2.gz QYDQWJLNUKTFGF-DJIMGWMZSA-N 1 0 429.500 0.983 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1)c1cccc(F)c1 ZINC001552766633 1072502468 /nfs/dbraw/zinc/50/24/68/1072502468.db2.gz QYDQWJLNUKTFGF-HYVNUMGLSA-N 1 0 429.500 0.983 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1)c1cccc(F)c1 ZINC001552766634 1072502409 /nfs/dbraw/zinc/50/24/09/1072502409.db2.gz QYDQWJLNUKTFGF-USXIJHARSA-N 1 0 429.500 0.983 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C)C1CC1 ZINC001552797738 1072502378 /nfs/dbraw/zinc/50/23/78/1072502378.db2.gz ORRYCTIUHZEXTL-IBGZPJMESA-N 1 0 447.628 0.897 20 0 ICADRO C[NH+](C)[C@H](Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C)C1CC1 ZINC001552797741 1072502223 /nfs/dbraw/zinc/50/22/23/1072502223.db2.gz ORRYCTIUHZEXTL-LJQANCHMSA-N 1 0 447.628 0.897 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(-c3ccc[nH]3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC001552798505 1072502846 /nfs/dbraw/zinc/50/28/46/1072502846.db2.gz ZHMHTSIDXFBPQM-GOSISDBHSA-N 1 0 439.611 0.792 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(-c3ccc[nH]3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC001552798506 1072502934 /nfs/dbraw/zinc/50/29/34/1072502934.db2.gz ZHMHTSIDXFBPQM-SFHVURJKSA-N 1 0 439.611 0.792 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)c1ccco1 ZINC001552798728 1072503013 /nfs/dbraw/zinc/50/30/13/1072503013.db2.gz WNDIXZIDJUBWEX-CABCVRRESA-N 1 0 429.525 0.619 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)c1ccco1 ZINC001552798729 1072502946 /nfs/dbraw/zinc/50/29/46/1072502946.db2.gz WNDIXZIDJUBWEX-GJZGRUSLSA-N 1 0 429.525 0.619 20 0 ICADRO C[NH+](C)[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)c1ccco1 ZINC001552798730 1072502917 /nfs/dbraw/zinc/50/29/17/1072502917.db2.gz WNDIXZIDJUBWEX-HUUCEWRRSA-N 1 0 429.525 0.619 20 0 ICADRO C[NH+](C)[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)c1ccco1 ZINC001552798731 1072503039 /nfs/dbraw/zinc/50/30/39/1072503039.db2.gz WNDIXZIDJUBWEX-LSDHHAIUSA-N 1 0 429.525 0.619 20 0 ICADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CC(N)=O)C2)CCOCC1 ZINC001552808068 1072502834 /nfs/dbraw/zinc/50/28/34/1072502834.db2.gz IDMGAKUISGAMBJ-KRWDZBQOSA-N 1 0 447.584 0.603 20 0 ICADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CC(N)=O)C2)CCOCC1 ZINC001552808070 1072502969 /nfs/dbraw/zinc/50/29/69/1072502969.db2.gz IDMGAKUISGAMBJ-QGZVFWFLSA-N 1 0 447.584 0.603 20 0 ICADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001552808937 1072502823 /nfs/dbraw/zinc/50/28/23/1072502823.db2.gz UOUYFHOAWLMXGB-INIZCTEOSA-N 1 0 433.557 0.213 20 0 ICADRO Cn1cc(Nc2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)cn1 ZINC001552809131 1072503060 /nfs/dbraw/zinc/50/30/60/1072503060.db2.gz WWEMYIKTISZMJG-HNNXBMFYSA-N 1 0 438.558 0.572 20 0 ICADRO Cn1cc(Nc2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)cn1 ZINC001552809132 1072502991 /nfs/dbraw/zinc/50/29/91/1072502991.db2.gz WWEMYIKTISZMJG-OAHLLOKOSA-N 1 0 438.558 0.572 20 0 ICADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(OCC(N)=O)CC2)CCC1 ZINC001552809224 1072502792 /nfs/dbraw/zinc/50/27/92/1072502792.db2.gz ZXCYQLRPTAREMD-UHFFFAOYSA-N 1 0 433.557 0.356 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCSC1 ZINC001552809785 1072503028 /nfs/dbraw/zinc/50/30/28/1072503028.db2.gz BSEGRROGJLJKLE-FOIQADDNSA-N 1 0 435.598 0.758 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCSC1 ZINC001552809786 1072502981 /nfs/dbraw/zinc/50/29/81/1072502981.db2.gz BSEGRROGJLJKLE-MGPUTAFESA-N 1 0 435.598 0.758 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCSC1 ZINC001552809787 1072502871 /nfs/dbraw/zinc/50/28/71/1072502871.db2.gz BSEGRROGJLJKLE-QRWLVFNGSA-N 1 0 435.598 0.758 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCSC1 ZINC001552809788 1072503069 /nfs/dbraw/zinc/50/30/69/1072503069.db2.gz BSEGRROGJLJKLE-YWZLYKJASA-N 1 0 435.598 0.758 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC001552810266 1072503005 /nfs/dbraw/zinc/50/30/05/1072503005.db2.gz CNBMUXCJGCZNAG-GOSISDBHSA-N 1 0 428.628 0.750 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC001552810274 1072502857 /nfs/dbraw/zinc/50/28/57/1072502857.db2.gz CNBMUXCJGCZNAG-SFHVURJKSA-N 1 0 428.628 0.750 20 0 ICADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001552811921 1072502884 /nfs/dbraw/zinc/50/28/84/1072502884.db2.gz KTBKWUDUBLAUMG-HNNXBMFYSA-N 1 0 435.554 0.469 20 0 ICADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001552811923 1072503526 /nfs/dbraw/zinc/50/35/26/1072503526.db2.gz KTBKWUDUBLAUMG-OAHLLOKOSA-N 1 0 435.554 0.469 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(Cc3cccnc3)nnc2N2CCS(=O)(=O)CC2)CCSC1 ZINC001552812197 1072503437 /nfs/dbraw/zinc/50/34/37/1072503437.db2.gz SUPDKGTVMDHQCJ-IBGZPJMESA-N 1 0 436.607 0.936 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(Cc3cccnc3)nnc2N2CCS(=O)(=O)CC2)CCSC1 ZINC001552812198 1072503500 /nfs/dbraw/zinc/50/35/00/1072503500.db2.gz SUPDKGTVMDHQCJ-LJQANCHMSA-N 1 0 436.607 0.936 20 0 ICADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 ZINC001552812834 1072503601 /nfs/dbraw/zinc/50/36/01/1072503601.db2.gz OFCOEWNSQHKBEI-UHFFFAOYSA-N 1 0 434.570 0.691 20 0 ICADRO CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001552848426 1072504128 /nfs/dbraw/zinc/50/41/28/1072504128.db2.gz BXIKAIGFGDPSLU-HNNXBMFYSA-N 1 0 426.587 0.725 20 0 ICADRO CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001552848428 1072504087 /nfs/dbraw/zinc/50/40/87/1072504087.db2.gz BXIKAIGFGDPSLU-OAHLLOKOSA-N 1 0 426.587 0.725 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001552849080 1072504483 /nfs/dbraw/zinc/50/44/83/1072504483.db2.gz FRKFSPZIIHWGNV-HNNXBMFYSA-N 1 0 426.587 0.725 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001552849084 1072504537 /nfs/dbraw/zinc/50/45/37/1072504537.db2.gz FRKFSPZIIHWGNV-OAHLLOKOSA-N 1 0 426.587 0.725 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 ZINC001552853104 1072504692 /nfs/dbraw/zinc/50/46/92/1072504692.db2.gz CELBGUGBLVBSRM-UHFFFAOYSA-N 1 0 434.566 0.873 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001552854147 1072504511 /nfs/dbraw/zinc/50/45/11/1072504511.db2.gz HVXMSVHJJQRWIN-HNNXBMFYSA-N 1 0 443.527 0.819 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001552854149 1072504526 /nfs/dbraw/zinc/50/45/26/1072504526.db2.gz HVXMSVHJJQRWIN-OAHLLOKOSA-N 1 0 443.527 0.819 20 0 ICADRO Cn1nc(-c2nnc(N3CCNC(=O)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001552857990 1072504649 /nfs/dbraw/zinc/50/46/49/1072504649.db2.gz HHFDQMQVLOHFEP-UHFFFAOYSA-N 1 0 438.536 0.716 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001552859135 1072504593 /nfs/dbraw/zinc/50/45/93/1072504593.db2.gz YLHYNMKYPTXAKZ-UHFFFAOYSA-N 1 0 431.589 0.477 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001552859992 1072504604 /nfs/dbraw/zinc/50/46/04/1072504604.db2.gz AGHBUTGPPHVHDQ-ARFHVFGLSA-N 1 0 438.598 0.483 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001552859994 1072504406 /nfs/dbraw/zinc/50/44/06/1072504406.db2.gz AGHBUTGPPHVHDQ-BZUAXINKSA-N 1 0 438.598 0.483 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001552859996 1072504672 /nfs/dbraw/zinc/50/46/72/1072504672.db2.gz AGHBUTGPPHVHDQ-OAGGEKHMSA-N 1 0 438.598 0.483 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001552859999 1072504464 /nfs/dbraw/zinc/50/44/64/1072504464.db2.gz AGHBUTGPPHVHDQ-XHSDSOJGSA-N 1 0 438.598 0.483 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001552861056 1072504580 /nfs/dbraw/zinc/50/45/80/1072504580.db2.gz FTDRDHHIRYAUCE-UHFFFAOYSA-N 1 0 448.616 0.199 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001552861874 1072504572 /nfs/dbraw/zinc/50/45/72/1072504572.db2.gz MWJRWFHTCVVOEU-UHFFFAOYSA-N 1 0 441.602 0.070 20 0 ICADRO CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC1=O ZINC001552861949 1072504620 /nfs/dbraw/zinc/50/46/20/1072504620.db2.gz OTKFINXGUIFAPC-UHFFFAOYSA-N 1 0 425.537 0.902 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001552862299 1072504453 /nfs/dbraw/zinc/50/44/53/1072504453.db2.gz OGBMHRPZXIVHOG-UHFFFAOYSA-N 1 0 444.588 0.859 20 0 ICADRO C[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)c1 ZINC001552862302 1072504661 /nfs/dbraw/zinc/50/46/61/1072504661.db2.gz RJLPALOMUCLYGH-GOSISDBHSA-N 1 0 425.537 0.936 20 0 ICADRO C[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)c1 ZINC001552862303 1072504559 /nfs/dbraw/zinc/50/45/59/1072504559.db2.gz RJLPALOMUCLYGH-SFHVURJKSA-N 1 0 425.537 0.936 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001552863658 1072504630 /nfs/dbraw/zinc/50/46/30/1072504630.db2.gz ZLQDLRSJXXYYLT-AUUYWEPGSA-N 1 0 426.587 0.470 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001552863659 1072504437 /nfs/dbraw/zinc/50/44/37/1072504437.db2.gz ZLQDLRSJXXYYLT-IFXJQAMLSA-N 1 0 426.587 0.470 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001552863661 1072504387 /nfs/dbraw/zinc/50/43/87/1072504387.db2.gz ZLQDLRSJXXYYLT-KUHUBIRLSA-N 1 0 426.587 0.470 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001552863663 1072505128 /nfs/dbraw/zinc/50/51/28/1072505128.db2.gz ZLQDLRSJXXYYLT-LIRRHRJNSA-N 1 0 426.587 0.470 20 0 ICADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001552865992 1072505150 /nfs/dbraw/zinc/50/51/50/1072505150.db2.gz BRVYIAKLAMOZQT-MSOLQXFVSA-N 1 0 446.577 0.962 20 0 ICADRO CN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001552865993 1072505094 /nfs/dbraw/zinc/50/50/94/1072505094.db2.gz BRVYIAKLAMOZQT-QZTJIDSGSA-N 1 0 446.577 0.962 20 0 ICADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC001552865994 1072504997 /nfs/dbraw/zinc/50/49/97/1072504997.db2.gz BRVYIAKLAMOZQT-ROUUACIJSA-N 1 0 446.577 0.962 20 0 ICADRO CN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC001552865995 1072505238 /nfs/dbraw/zinc/50/52/38/1072505238.db2.gz BRVYIAKLAMOZQT-ZWKOTPCHSA-N 1 0 446.577 0.962 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001552866519 1072505162 /nfs/dbraw/zinc/50/51/62/1072505162.db2.gz BPQMRSDXGUQYFE-SFHVURJKSA-N 1 0 443.600 0.654 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001552866575 1072504954 /nfs/dbraw/zinc/50/49/54/1072504954.db2.gz CSWUIBYMAGJSFS-GOSISDBHSA-N 1 0 440.614 0.638 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001552867162 1072505116 /nfs/dbraw/zinc/50/51/16/1072505116.db2.gz RONWLRDMEUSAMY-KRWDZBQOSA-N 1 0 449.581 0.325 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001552867163 1072504893 /nfs/dbraw/zinc/50/48/93/1072504893.db2.gz RONWLRDMEUSAMY-QGZVFWFLSA-N 1 0 449.581 0.325 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001552867813 1072505045 /nfs/dbraw/zinc/50/50/45/1072505045.db2.gz QYCBTFWRFHNNFQ-MOPGFXCFSA-N 1 0 433.601 0.757 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001552867825 1072504905 /nfs/dbraw/zinc/50/49/05/1072504905.db2.gz QYCBTFWRFHNNFQ-OALUTQOASA-N 1 0 433.601 0.757 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001552867826 1072505027 /nfs/dbraw/zinc/50/50/27/1072505027.db2.gz QYCBTFWRFHNNFQ-RBUKOAKNSA-N 1 0 433.601 0.757 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001552867827 1072505200 /nfs/dbraw/zinc/50/52/00/1072505200.db2.gz QYCBTFWRFHNNFQ-RTBURBONSA-N 1 0 433.601 0.757 20 0 ICADRO Cn1cc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC001552868013 1072505105 /nfs/dbraw/zinc/50/51/05/1072505105.db2.gz WYVDYBYCAFNHPW-UHFFFAOYSA-N 1 0 438.536 0.994 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001552868247 1072504930 /nfs/dbraw/zinc/50/49/30/1072504930.db2.gz XRIXYXVYYHPTRN-UHFFFAOYSA-N 1 0 426.569 0.474 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001552868263 1072505219 /nfs/dbraw/zinc/50/52/19/1072505219.db2.gz YKLKECGESUZCAO-UHFFFAOYSA-N 1 0 435.598 0.782 20 0 ICADRO Cn1cc(-c2nnc(N3CCNC(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001552868275 1072505598 /nfs/dbraw/zinc/50/55/98/1072505598.db2.gz ZBOKYKMVUSXTNE-UHFFFAOYSA-N 1 0 438.536 0.798 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(C3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001552868296 1072505580 /nfs/dbraw/zinc/50/55/80/1072505580.db2.gz ZNBLZXKWNSWXFS-UHFFFAOYSA-N 1 0 439.630 0.511 20 0 ICADRO Cn1cc(C[C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)C2)cn1 ZINC001552870814 1072505498 /nfs/dbraw/zinc/50/54/98/1072505498.db2.gz JWEGBDMIGCGWAB-GOSISDBHSA-N 1 0 444.584 0.895 20 0 ICADRO Cn1cc(C[C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)C2)cn1 ZINC001552870815 1072505611 /nfs/dbraw/zinc/50/56/11/1072505611.db2.gz JWEGBDMIGCGWAB-SFHVURJKSA-N 1 0 444.584 0.895 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001552871075 1072505630 /nfs/dbraw/zinc/50/56/30/1072505630.db2.gz LIJDOVHOQSGNLW-KRWDZBQOSA-N 1 0 447.584 0.587 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001552871076 1072505658 /nfs/dbraw/zinc/50/56/58/1072505658.db2.gz LIJDOVHOQSGNLW-QGZVFWFLSA-N 1 0 447.584 0.587 20 0 ICADRO Cn1cnnc1[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCOCC[NH+](C)C ZINC001552871381 1072505605 /nfs/dbraw/zinc/50/56/05/1072505605.db2.gz PPFGRLSZBRSAHE-INIZCTEOSA-N 1 0 431.545 0.562 20 0 ICADRO Cn1cnnc1[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCOCC[NH+](C)C ZINC001552871382 1072505653 /nfs/dbraw/zinc/50/56/53/1072505653.db2.gz PPFGRLSZBRSAHE-MRXNPFEDSA-N 1 0 431.545 0.562 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001552871465 1072505510 /nfs/dbraw/zinc/50/55/10/1072505510.db2.gz RCNJFWVAWQECMJ-UHFFFAOYSA-N 1 0 433.557 0.199 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(N)=O)CC1 ZINC001552871627 1072505570 /nfs/dbraw/zinc/50/55/70/1072505570.db2.gz QTBWLUNFBAHWKY-UHFFFAOYSA-N 1 0 430.509 0.954 20 0 ICADRO C[NH+](C)CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 ZINC001552871726 1072505647 /nfs/dbraw/zinc/50/56/47/1072505647.db2.gz VNZRWOXCRXYDTG-UHFFFAOYSA-N 1 0 441.536 0.439 20 0 ICADRO Cn1cc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001552871981 1072505633 /nfs/dbraw/zinc/50/56/33/1072505633.db2.gz YNMWKIGKVOFYQL-UHFFFAOYSA-N 1 0 438.536 0.994 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2CCOCC[NH+](C)C)CC1 ZINC001552874923 1072505990 /nfs/dbraw/zinc/50/59/90/1072505990.db2.gz GHMRLAABOIYSKL-UHFFFAOYSA-N 1 0 432.573 0.072 20 0 ICADRO CN1C(=O)NC2(CCN(c3nnc([C@@H]4CCCCO4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552874940 1072505936 /nfs/dbraw/zinc/50/59/36/1072505936.db2.gz GTPDQTDCUSLKOF-INIZCTEOSA-N 1 0 449.556 0.619 20 0 ICADRO CN1C(=O)NC2(CCN(c3nnc([C@H]4CCCCO4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552874941 1072506122 /nfs/dbraw/zinc/50/61/22/1072506122.db2.gz GTPDQTDCUSLKOF-MRXNPFEDSA-N 1 0 449.556 0.619 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001552875043 1072505974 /nfs/dbraw/zinc/50/59/74/1072505974.db2.gz BSTOCLIASBJAHK-KRWDZBQOSA-N 1 0 435.573 0.744 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001552875045 1072506110 /nfs/dbraw/zinc/50/61/10/1072506110.db2.gz BSTOCLIASBJAHK-QGZVFWFLSA-N 1 0 435.573 0.744 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCOCC2)C1 ZINC001552875073 1072506030 /nfs/dbraw/zinc/50/60/30/1072506030.db2.gz CGVWVFAFFIAHGV-UHFFFAOYSA-N 1 0 436.557 0.365 20 0 ICADRO Cn1cc([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCOCC[NH+](C)C)C2)cn1 ZINC001552875080 1072506097 /nfs/dbraw/zinc/50/60/97/1072506097.db2.gz CNIRGPLBIYMOIX-KRWDZBQOSA-N 1 0 430.557 0.706 20 0 ICADRO Cn1cc([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCOCC[NH+](C)C)C2)cn1 ZINC001552875082 1072505922 /nfs/dbraw/zinc/50/59/22/1072505922.db2.gz CNIRGPLBIYMOIX-QGZVFWFLSA-N 1 0 430.557 0.706 20 0 ICADRO Cn1cc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC[NH+](C)C)CC2=O)cn1 ZINC001552875129 1072505881 /nfs/dbraw/zinc/50/58/81/1072505881.db2.gz JOIWASREUOAZGB-UHFFFAOYSA-N 1 0 427.513 0.438 20 0 ICADRO Cn1cccc1-c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCOCC[NH+](C)C ZINC001552875146 1072506068 /nfs/dbraw/zinc/50/60/68/1072506068.db2.gz KEJHANJVPMYVDA-GOSISDBHSA-N 1 0 428.541 0.964 20 0 ICADRO Cn1cccc1-c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CCOCC[NH+](C)C ZINC001552875147 1072505910 /nfs/dbraw/zinc/50/59/10/1072505910.db2.gz KEJHANJVPMYVDA-SFHVURJKSA-N 1 0 428.541 0.964 20 0 ICADRO Cn1cc(N2CCN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)CC2)cn1 ZINC001552875257 1072505895 /nfs/dbraw/zinc/50/58/95/1072505895.db2.gz KRJAANBUTYKBGT-UHFFFAOYSA-N 1 0 425.541 0.978 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CCOCC[NH+](C)C)cn1 ZINC001552875342 1072506084 /nfs/dbraw/zinc/50/60/84/1072506084.db2.gz LZYJOGVVUXELPA-INIZCTEOSA-N 1 0 430.557 0.752 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CCOCC[NH+](C)C)cn1 ZINC001552875345 1072506000 /nfs/dbraw/zinc/50/60/00/1072506000.db2.gz LZYJOGVVUXELPA-MRXNPFEDSA-N 1 0 430.557 0.752 20 0 ICADRO C[NH+](C)CCOCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001552875399 1072506016 /nfs/dbraw/zinc/50/60/16/1072506016.db2.gz DXUVDPVCAITNML-IBGZPJMESA-N 1 0 427.553 0.855 20 0 ICADRO C[NH+](C)CCOCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001552875406 1072506043 /nfs/dbraw/zinc/50/60/43/1072506043.db2.gz DXUVDPVCAITNML-LJQANCHMSA-N 1 0 427.553 0.855 20 0 ICADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCC[NH+](C)C)C1CCC2(CC1)OCCO2 ZINC001552875471 1072506056 /nfs/dbraw/zinc/50/60/56/1072506056.db2.gz NGYBMBWXHVFCJB-KRWDZBQOSA-N 1 0 436.557 0.929 20 0 ICADRO CN(c1nnc([C@H]2CCC(=O)N2)n1CCOCC[NH+](C)C)C1CCC2(CC1)OCCO2 ZINC001552875472 1072506144 /nfs/dbraw/zinc/50/61/44/1072506144.db2.gz NGYBMBWXHVFCJB-QGZVFWFLSA-N 1 0 436.557 0.929 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001552875502 1072506137 /nfs/dbraw/zinc/50/61/37/1072506137.db2.gz FIUOJLDCGQDSGB-KRWDZBQOSA-N 1 0 444.602 0.222 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001552875504 1072506369 /nfs/dbraw/zinc/50/63/69/1072506369.db2.gz FIUOJLDCGQDSGB-QGZVFWFLSA-N 1 0 444.602 0.222 20 0 ICADRO Cn1nccc1[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C1 ZINC001552875657 1072506467 /nfs/dbraw/zinc/50/64/67/1072506467.db2.gz OYJLBVBCLDHFSO-DLBZAZTESA-N 1 0 430.557 0.925 20 0 ICADRO Cn1nccc1[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C1 ZINC001552875662 1072506542 /nfs/dbraw/zinc/50/65/42/1072506542.db2.gz OYJLBVBCLDHFSO-IAGOWNOFSA-N 1 0 430.557 0.925 20 0 ICADRO Cn1nccc1[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C1 ZINC001552875666 1072506559 /nfs/dbraw/zinc/50/65/59/1072506559.db2.gz OYJLBVBCLDHFSO-IRXDYDNUSA-N 1 0 430.557 0.925 20 0 ICADRO Cn1nccc1[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C1 ZINC001552875673 1072506397 /nfs/dbraw/zinc/50/63/97/1072506397.db2.gz OYJLBVBCLDHFSO-SJORKVTESA-N 1 0 430.557 0.925 20 0 ICADRO Cn1cc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001552875757 1072506514 /nfs/dbraw/zinc/50/65/14/1072506514.db2.gz PRLCZXRMUAHTFM-UHFFFAOYSA-N 1 0 425.559 0.270 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001552876109 1072506608 /nfs/dbraw/zinc/50/66/08/1072506608.db2.gz IMNIWCRDCDRPFD-MSOLQXFVSA-N 1 0 429.525 0.777 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 ZINC001552876133 1072506354 /nfs/dbraw/zinc/50/63/54/1072506354.db2.gz IRTAGJRJCNWMFD-UHFFFAOYSA-N 1 0 437.552 0.959 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 ZINC001552876137 1072506444 /nfs/dbraw/zinc/50/64/44/1072506444.db2.gz ITPGPVXKQJTPFI-UHFFFAOYSA-N 1 0 442.568 0.700 20 0 ICADRO CN1C(=O)NC2(CCN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552876677 1072506339 /nfs/dbraw/zinc/50/63/39/1072506339.db2.gz VSRAHEZIRFNCMA-UHFFFAOYSA-N 1 0 442.524 0.439 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001552876686 1072506499 /nfs/dbraw/zinc/50/64/99/1072506499.db2.gz JBIPDGUYCMCVIR-UHFFFAOYSA-N 1 0 436.582 0.856 20 0 ICADRO Cn1cccc1-c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCOCC[NH+](C)C ZINC001552876711 1072506588 /nfs/dbraw/zinc/50/65/88/1072506588.db2.gz WDZGNUFGGIGABY-UHFFFAOYSA-N 1 0 444.540 0.382 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001552876974 1072506482 /nfs/dbraw/zinc/50/64/82/1072506482.db2.gz YQTHFBUROQIYTJ-DLBZAZTESA-N 1 0 433.557 0.399 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001552876975 1072506387 /nfs/dbraw/zinc/50/63/87/1072506387.db2.gz YQTHFBUROQIYTJ-IAGOWNOFSA-N 1 0 433.557 0.399 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001552876976 1072506408 /nfs/dbraw/zinc/50/64/08/1072506408.db2.gz YQTHFBUROQIYTJ-IRXDYDNUSA-N 1 0 433.557 0.399 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001552876977 1072506573 /nfs/dbraw/zinc/50/65/73/1072506573.db2.gz YQTHFBUROQIYTJ-SJORKVTESA-N 1 0 433.557 0.399 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001552876991 1072506379 /nfs/dbraw/zinc/50/63/79/1072506379.db2.gz ZPEIEZNZLNUMPU-INIZCTEOSA-N 1 0 428.541 0.808 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001552876992 1072506421 /nfs/dbraw/zinc/50/64/21/1072506421.db2.gz ZPEIEZNZLNUMPU-MRXNPFEDSA-N 1 0 428.541 0.808 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001552877146 1072507021 /nfs/dbraw/zinc/50/70/21/1072507021.db2.gz MDKVFNZOWWDUHE-MSOLQXFVSA-N 1 0 440.614 0.433 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001552877147 1072507120 /nfs/dbraw/zinc/50/71/20/1072507120.db2.gz MDKVFNZOWWDUHE-QZTJIDSGSA-N 1 0 440.614 0.433 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001552877148 1072506871 /nfs/dbraw/zinc/50/68/71/1072506871.db2.gz MDKVFNZOWWDUHE-ROUUACIJSA-N 1 0 440.614 0.433 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001552877149 1072507077 /nfs/dbraw/zinc/50/70/77/1072507077.db2.gz MDKVFNZOWWDUHE-ZWKOTPCHSA-N 1 0 440.614 0.433 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001552877151 1072506906 /nfs/dbraw/zinc/50/69/06/1072506906.db2.gz MFGBXWCIVLJLOL-FQEVSTJZSA-N 1 0 435.529 0.010 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001552877152 1072506979 /nfs/dbraw/zinc/50/69/79/1072506979.db2.gz MFGBXWCIVLJLOL-HXUWFJFHSA-N 1 0 435.529 0.010 20 0 ICADRO C[NH+](C)CCOCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001552877186 1072507064 /nfs/dbraw/zinc/50/70/64/1072507064.db2.gz MYBZBMYCRNHPBC-UHFFFAOYSA-N 1 0 430.619 0.917 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001552877392 1072507171 /nfs/dbraw/zinc/50/71/71/1072507171.db2.gz PCZCVQRJCTYZMD-INIZCTEOSA-N 1 0 426.525 0.406 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001552877393 1072506967 /nfs/dbraw/zinc/50/69/67/1072506967.db2.gz PCZCVQRJCTYZMD-MRXNPFEDSA-N 1 0 426.525 0.406 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001552877424 1072506917 /nfs/dbraw/zinc/50/69/17/1072506917.db2.gz PXGKWUAMINBYFN-UHFFFAOYSA-N 1 0 442.568 0.836 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 ZINC001552877512 1072507006 /nfs/dbraw/zinc/50/70/06/1072507006.db2.gz QXKVITYCTLZJKW-GOSISDBHSA-N 1 0 430.557 0.867 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 ZINC001552877513 1072507155 /nfs/dbraw/zinc/50/71/55/1072507155.db2.gz QXKVITYCTLZJKW-SFHVURJKSA-N 1 0 430.557 0.867 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 ZINC001552877633 1072506950 /nfs/dbraw/zinc/50/69/50/1072506950.db2.gz VGJPUYWECQBNPS-GOSISDBHSA-N 1 0 435.550 0.938 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 ZINC001552877634 1072506900 /nfs/dbraw/zinc/50/69/00/1072506900.db2.gz VGJPUYWECQBNPS-SFHVURJKSA-N 1 0 435.550 0.938 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 ZINC001552877643 1072506893 /nfs/dbraw/zinc/50/68/93/1072506893.db2.gz VLVVLLJLJPWXIK-KRWDZBQOSA-N 1 0 441.598 0.908 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 ZINC001552877644 1072506960 /nfs/dbraw/zinc/50/69/60/1072506960.db2.gz VLVVLLJLJPWXIK-QGZVFWFLSA-N 1 0 441.598 0.908 20 0 ICADRO CN1C(=O)N[C@H](C2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552877785 1072506993 /nfs/dbraw/zinc/50/69/93/1072506993.db2.gz ZRXMBGOYSCNSMP-DLBZAZTESA-N 1 0 449.556 0.127 20 0 ICADRO CN1C(=O)N[C@H](C2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552877786 1072506941 /nfs/dbraw/zinc/50/69/41/1072506941.db2.gz ZRXMBGOYSCNSMP-IAGOWNOFSA-N 1 0 449.556 0.127 20 0 ICADRO CN1C(=O)N[C@@H](C2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552877787 1072507432 /nfs/dbraw/zinc/50/74/32/1072507432.db2.gz ZRXMBGOYSCNSMP-IRXDYDNUSA-N 1 0 449.556 0.127 20 0 ICADRO CN1C(=O)N[C@@H](C2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001552877788 1072507524 /nfs/dbraw/zinc/50/75/24/1072507524.db2.gz ZRXMBGOYSCNSMP-SJORKVTESA-N 1 0 449.556 0.127 20 0 ICADRO C[NH+](C)CCOCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001552879585 1072507457 /nfs/dbraw/zinc/50/74/57/1072507457.db2.gz AAYCPXYYLXTQSS-UHFFFAOYSA-N 1 0 441.529 0.809 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001552880251 1072507540 /nfs/dbraw/zinc/50/75/40/1072507540.db2.gz FSGRPZFGOQUJFV-UHFFFAOYSA-N 1 0 449.600 0.425 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C ZINC001552880283 1072507624 /nfs/dbraw/zinc/50/76/24/1072507624.db2.gz GFFZYCMJATVQDZ-NRFANRHFSA-N 1 0 435.573 0.968 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C ZINC001552880285 1072507510 /nfs/dbraw/zinc/50/75/10/1072507510.db2.gz GFFZYCMJATVQDZ-OAQYLSRUSA-N 1 0 435.573 0.968 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001552881346 1072507999 /nfs/dbraw/zinc/50/79/99/1072507999.db2.gz XCIAHHHFYMUZOR-INIZCTEOSA-N 1 0 430.619 0.919 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001552881349 1072508115 /nfs/dbraw/zinc/50/81/15/1072508115.db2.gz XCIAHHHFYMUZOR-MRXNPFEDSA-N 1 0 430.619 0.919 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001552886852 1072508892 /nfs/dbraw/zinc/50/88/92/1072508892.db2.gz CHZRLILQEKUOAN-UHFFFAOYSA-N 1 0 436.586 0.937 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001552887006 1072508817 /nfs/dbraw/zinc/50/88/17/1072508817.db2.gz DPVHCKHPIYTLOE-INIZCTEOSA-N 1 0 426.587 0.596 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001552887864 1072509328 /nfs/dbraw/zinc/50/93/28/1072509328.db2.gz NEYUZTGUYYHSOY-UHFFFAOYSA-N 1 0 440.614 0.986 20 0 ICADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001552888113 1072509675 /nfs/dbraw/zinc/50/96/75/1072509675.db2.gz OZLBGYGWUYTWAY-AWEZNQCLSA-N 1 0 427.575 0.041 20 0 ICADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001552888114 1072509657 /nfs/dbraw/zinc/50/96/57/1072509657.db2.gz OZLBGYGWUYTWAY-CQSZACIVSA-N 1 0 427.575 0.041 20 0 ICADRO CN(c1nnc(C2CC2)n1C[C@H]1CCC[N@@H+]1CCCO)C1CCN(S(C)(=O)=O)CC1 ZINC001552932161 1072512240 /nfs/dbraw/zinc/51/22/40/1072512240.db2.gz BSOVVSFYECPLEZ-GOSISDBHSA-N 1 0 440.614 0.863 20 0 ICADRO CN(c1nnc(C2CC2)n1C[C@@H]1CCC[N@@H+]1CCCO)C1CCN(S(C)(=O)=O)CC1 ZINC001552932162 1072512298 /nfs/dbraw/zinc/51/22/98/1072512298.db2.gz BSOVVSFYECPLEZ-SFHVURJKSA-N 1 0 440.614 0.863 20 0 ICADRO CN(c1nnc(-c2cnn(C)c2)n1CCCC[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001552934778 1072513081 /nfs/dbraw/zinc/51/30/81/1072513081.db2.gz JTWRTZZBUACBHX-KRWDZBQOSA-N 1 0 437.570 0.414 20 0 ICADRO CN(c1nnc(-c2cnn(C)c2)n1CCCC[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001552934779 1072513195 /nfs/dbraw/zinc/51/31/95/1072513195.db2.gz JTWRTZZBUACBHX-QGZVFWFLSA-N 1 0 437.570 0.414 20 0 ICADRO CN(c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001552936890 1072513551 /nfs/dbraw/zinc/51/35/51/1072513551.db2.gz ZAVBWPGPBIIHHG-HNNXBMFYSA-N 1 0 435.554 0.469 20 0 ICADRO CN(c1nnc(-c2cnccn2)n1CC1([NH+](C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001552936892 1072513645 /nfs/dbraw/zinc/51/36/45/1072513645.db2.gz ZAVBWPGPBIIHHG-OAHLLOKOSA-N 1 0 435.554 0.469 20 0 ICADRO CN(c1nnc([C@H]2CCOC2)n1CC[N@H+]1CC=CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001552965177 1072515247 /nfs/dbraw/zinc/51/52/47/1072515247.db2.gz WANKHBFHSLLXOZ-KRWDZBQOSA-N 1 0 438.598 0.904 20 0 ICADRO CN(c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CC=CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001552965180 1072515287 /nfs/dbraw/zinc/51/52/87/1072515287.db2.gz WANKHBFHSLLXOZ-QGZVFWFLSA-N 1 0 438.598 0.904 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCC1 ZINC001554124975 1072519915 /nfs/dbraw/zinc/51/99/15/1072519915.db2.gz JBGBEBUYGHZQJJ-UHFFFAOYSA-N 1 0 442.524 0.316 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554125156 1072519736 /nfs/dbraw/zinc/51/97/36/1072519736.db2.gz LHYYXJFYAIDSFP-UHFFFAOYSA-N 1 0 435.617 0.897 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CC=CCC1 ZINC001554125544 1072520267 /nfs/dbraw/zinc/52/02/67/1072520267.db2.gz QNCPCVBRWNIJJW-UHFFFAOYSA-N 1 0 431.541 0.071 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCSCC1 ZINC001554126159 1072520650 /nfs/dbraw/zinc/52/06/50/1072520650.db2.gz ASDUSQXMWJMREH-KRWDZBQOSA-N 1 0 438.598 0.516 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCSCC1 ZINC001554126160 1072520757 /nfs/dbraw/zinc/52/07/57/1072520757.db2.gz ASDUSQXMWJMREH-QGZVFWFLSA-N 1 0 438.598 0.516 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(Cc2cccnc2)n1CC[NH+]1CCSCC1 ZINC001554126614 1072521288 /nfs/dbraw/zinc/52/12/88/1072521288.db2.gz JJTBPZRIPVKVHY-UHFFFAOYSA-N 1 0 445.593 0.608 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC[NH+]1CCCCCC1 ZINC001554126944 1072521392 /nfs/dbraw/zinc/52/13/92/1072521392.db2.gz RIEITFHCECYFSE-UHFFFAOYSA-N 1 0 447.584 0.572 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCC1 ZINC001554127085 1072521745 /nfs/dbraw/zinc/52/17/45/1072521745.db2.gz NPFXSFXOMVVNOD-KRWDZBQOSA-N 1 0 433.557 0.399 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCC1 ZINC001554127086 1072521813 /nfs/dbraw/zinc/52/18/13/1072521813.db2.gz NPFXSFXOMVVNOD-QGZVFWFLSA-N 1 0 433.557 0.399 20 0 ICADRO CN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001554183446 1072525399 /nfs/dbraw/zinc/52/53/99/1072525399.db2.gz DQLIYQXFGLLKHI-UHFFFAOYSA-N 1 0 430.557 0.731 20 0 ICADRO CN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCOCC1 ZINC001554185052 1072525967 /nfs/dbraw/zinc/52/59/67/1072525967.db2.gz GGFJPTOCVYRKHY-UHFFFAOYSA-N 1 0 430.557 0.881 20 0 ICADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CC=CCC1 ZINC001554204186 1072527546 /nfs/dbraw/zinc/52/75/46/1072527546.db2.gz QTJFEESPHQAKHL-AWEZNQCLSA-N 1 0 435.483 0.984 20 0 ICADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CC=CCC1 ZINC001554204187 1072527728 /nfs/dbraw/zinc/52/77/28/1072527728.db2.gz QTJFEESPHQAKHL-CQSZACIVSA-N 1 0 435.483 0.984 20 0 ICADRO CN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001554212643 1072528026 /nfs/dbraw/zinc/52/80/26/1072528026.db2.gz HKJDNZISOOCLDD-KRWDZBQOSA-N 1 0 426.587 0.943 20 0 ICADRO CN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001554212644 1072528017 /nfs/dbraw/zinc/52/80/17/1072528017.db2.gz HKJDNZISOOCLDD-QGZVFWFLSA-N 1 0 426.587 0.943 20 0 ICADRO CN(C[C@@H]1CCOC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001554243453 1072530692 /nfs/dbraw/zinc/53/06/92/1072530692.db2.gz WWHXFYUWCBNXEO-DLBZAZTESA-N 1 0 442.586 0.180 20 0 ICADRO CN(C[C@H]1CCOC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001554243454 1072530627 /nfs/dbraw/zinc/53/06/27/1072530627.db2.gz WWHXFYUWCBNXEO-IAGOWNOFSA-N 1 0 442.586 0.180 20 0 ICADRO CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001554243455 1072530822 /nfs/dbraw/zinc/53/08/22/1072530822.db2.gz WWHXFYUWCBNXEO-IRXDYDNUSA-N 1 0 442.586 0.180 20 0 ICADRO CN(C[C@H]1CCOC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001554243456 1072530752 /nfs/dbraw/zinc/53/07/52/1072530752.db2.gz WWHXFYUWCBNXEO-SJORKVTESA-N 1 0 442.586 0.180 20 0 ICADRO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001554261718 1072532158 /nfs/dbraw/zinc/53/21/58/1072532158.db2.gz HVMCLSJIDGVKDM-MSOLQXFVSA-N 1 0 428.541 0.545 20 0 ICADRO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001554261719 1072532449 /nfs/dbraw/zinc/53/24/49/1072532449.db2.gz HVMCLSJIDGVKDM-QZTJIDSGSA-N 1 0 428.541 0.545 20 0 ICADRO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001554261720 1072532136 /nfs/dbraw/zinc/53/21/36/1072532136.db2.gz HVMCLSJIDGVKDM-ROUUACIJSA-N 1 0 428.541 0.545 20 0 ICADRO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001554261721 1072532438 /nfs/dbraw/zinc/53/24/38/1072532438.db2.gz HVMCLSJIDGVKDM-ZWKOTPCHSA-N 1 0 428.541 0.545 20 0 ICADRO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554261802 1072532318 /nfs/dbraw/zinc/53/23/18/1072532318.db2.gz JSQMEPDIDZMCFF-GOSISDBHSA-N 1 0 441.584 0.724 20 0 ICADRO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554261805 1072532381 /nfs/dbraw/zinc/53/23/81/1072532381.db2.gz JSQMEPDIDZMCFF-SFHVURJKSA-N 1 0 441.584 0.724 20 0 ICADRO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCC1 ZINC001554288046 1072535630 /nfs/dbraw/zinc/53/56/30/1072535630.db2.gz ZUQBTBYDUPEAFO-HNNXBMFYSA-N 1 0 426.587 0.975 20 0 ICADRO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCC1 ZINC001554288047 1072535586 /nfs/dbraw/zinc/53/55/86/1072535586.db2.gz ZUQBTBYDUPEAFO-OAHLLOKOSA-N 1 0 426.587 0.975 20 0 ICADRO C[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC001554288600 1072536016 /nfs/dbraw/zinc/53/60/16/1072536016.db2.gz NTXWXNSSSPVVRH-GOSISDBHSA-N 1 0 425.537 0.958 20 0 ICADRO C[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC001554288601 1072536111 /nfs/dbraw/zinc/53/61/11/1072536111.db2.gz NTXWXNSSSPVVRH-SFHVURJKSA-N 1 0 425.537 0.958 20 0 ICADRO C[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC001554292430 1072535968 /nfs/dbraw/zinc/53/59/68/1072535968.db2.gz WHJWTBZIGPSBNM-KRWDZBQOSA-N 1 0 429.500 0.827 20 0 ICADRO C[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC001554292431 1072536071 /nfs/dbraw/zinc/53/60/71/1072536071.db2.gz WHJWTBZIGPSBNM-QGZVFWFLSA-N 1 0 429.500 0.827 20 0 ICADRO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C1CCCC1 ZINC001554295626 1072536525 /nfs/dbraw/zinc/53/65/25/1072536525.db2.gz YBRGABSVHCLESP-HNNXBMFYSA-N 1 0 429.612 0.623 20 0 ICADRO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C1CCCC1 ZINC001554295627 1072536597 /nfs/dbraw/zinc/53/65/97/1072536597.db2.gz YBRGABSVHCLESP-OAHLLOKOSA-N 1 0 429.612 0.623 20 0 ICADRO CN(CCN1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001554302000 1072538431 /nfs/dbraw/zinc/53/84/31/1072538431.db2.gz JQRILCJKTUWTDU-GOSISDBHSA-N 1 0 435.573 0.110 20 0 ICADRO CN(CCN1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001554302001 1072538283 /nfs/dbraw/zinc/53/82/83/1072538283.db2.gz JQRILCJKTUWTDU-SFHVURJKSA-N 1 0 435.573 0.110 20 0 ICADRO CN(CCN1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCCC[NH+]1CCOCC1 ZINC001554302071 1072538262 /nfs/dbraw/zinc/53/82/62/1072538262.db2.gz LJYDBIVJWDJJTO-UHFFFAOYSA-N 1 0 432.573 0.559 20 0 ICADRO CN(CCN1CCOCC1)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001554302199 1072538485 /nfs/dbraw/zinc/53/84/85/1072538485.db2.gz PEKMDYKYTIXQAD-FQEVSTJZSA-N 1 0 432.598 0.941 20 0 ICADRO CN(CCN1CCOCC1)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001554302200 1072538597 /nfs/dbraw/zinc/53/85/97/1072538597.db2.gz PEKMDYKYTIXQAD-HXUWFJFHSA-N 1 0 432.598 0.941 20 0 ICADRO CN(CCN1CCOCC1)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCC(O)CC1 ZINC001554303102 1072539627 /nfs/dbraw/zinc/53/96/27/1072539627.db2.gz ZDNPJJBFEZQHLS-UHFFFAOYSA-N 1 0 443.596 0.879 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001554303467 1072539578 /nfs/dbraw/zinc/53/95/78/1072539578.db2.gz ADMGSIBTPSYSGV-HNNXBMFYSA-N 1 0 441.602 0.479 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001554303468 1072539724 /nfs/dbraw/zinc/53/97/24/1072539724.db2.gz ADMGSIBTPSYSGV-OAHLLOKOSA-N 1 0 441.602 0.479 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001554303788 1072540071 /nfs/dbraw/zinc/54/00/71/1072540071.db2.gz HAYHSTYVVRGDKD-UHFFFAOYSA-N 1 0 436.586 0.843 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001554303863 1072540051 /nfs/dbraw/zinc/54/00/51/1072540051.db2.gz HWVQKWQQVMQECR-INIZCTEOSA-N 1 0 441.602 0.479 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+](C)C1CCCCC1 ZINC001554303864 1072540039 /nfs/dbraw/zinc/54/00/39/1072540039.db2.gz HWVQKWQQVMQECR-MRXNPFEDSA-N 1 0 441.602 0.479 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001554303952 1072540532 /nfs/dbraw/zinc/54/05/32/1072540532.db2.gz LBAIWMPDAYULQS-HNNXBMFYSA-N 1 0 427.575 0.091 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001554303953 1072540450 /nfs/dbraw/zinc/54/04/50/1072540450.db2.gz LBAIWMPDAYULQS-OAHLLOKOSA-N 1 0 427.575 0.091 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001554304108 1072540411 /nfs/dbraw/zinc/54/04/11/1072540411.db2.gz MGLJRCYWHBWBOE-KRWDZBQOSA-N 1 0 427.600 0.696 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001554304109 1072540555 /nfs/dbraw/zinc/54/05/55/1072540555.db2.gz MGLJRCYWHBWBOE-QGZVFWFLSA-N 1 0 427.600 0.696 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001554304187 1072540615 /nfs/dbraw/zinc/54/06/15/1072540615.db2.gz OAFRZTKKZJLDPK-UHFFFAOYSA-N 1 0 438.602 0.929 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554304254 1072540906 /nfs/dbraw/zinc/54/09/06/1072540906.db2.gz QZXVEMOWGQJBSF-UHFFFAOYSA-N 1 0 438.602 0.285 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cccn2C)n1CC1([NH+](C)C)CCOCC1 ZINC001554304260 1072541042 /nfs/dbraw/zinc/54/10/42/1072541042.db2.gz RDEJQLIMULVIBC-UHFFFAOYSA-N 1 0 439.586 0.380 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(Cc2ccccn2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001554304654 1072541465 /nfs/dbraw/zinc/54/14/65/1072541465.db2.gz CHNDYTUKVOUKAH-INIZCTEOSA-N 1 0 433.582 0.734 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001554304655 1072541340 /nfs/dbraw/zinc/54/13/40/1072541340.db2.gz CHNDYTUKVOUKAH-MRXNPFEDSA-N 1 0 433.582 0.734 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554318876 1072545492 /nfs/dbraw/zinc/54/54/92/1072545492.db2.gz QEFBQCKKXFQIPA-UHFFFAOYSA-N 1 0 435.598 0.847 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001554319344 1072546480 /nfs/dbraw/zinc/54/64/80/1072546480.db2.gz ZUQCMOVQTWQDGQ-HNNXBMFYSA-N 1 0 426.587 0.832 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001554319345 1072546277 /nfs/dbraw/zinc/54/62/77/1072546277.db2.gz ZUQCMOVQTWQDGQ-OAHLLOKOSA-N 1 0 426.587 0.832 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554320397 1072546393 /nfs/dbraw/zinc/54/63/93/1072546393.db2.gz RCZQJMJORHPPJA-MRXNPFEDSA-N 1 0 428.603 0.636 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCN1C1CC1 ZINC001554320655 1072546543 /nfs/dbraw/zinc/54/65/43/1072546543.db2.gz OMMURAAXEKPRNX-KRWDZBQOSA-N 1 0 438.598 0.898 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1C1CC1 ZINC001554320656 1072546594 /nfs/dbraw/zinc/54/65/94/1072546594.db2.gz OMMURAAXEKPRNX-QGZVFWFLSA-N 1 0 438.598 0.898 20 0 ICADRO Cn1cc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[NH+]2CCC(O)CC2)cn1 ZINC001554330914 1072549395 /nfs/dbraw/zinc/54/93/95/1072549395.db2.gz FLWFUNFPYNGHJC-KRWDZBQOSA-N 1 0 437.570 0.149 20 0 ICADRO Cn1cc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[NH+]2CCC(O)CC2)cn1 ZINC001554330916 1072549106 /nfs/dbraw/zinc/54/91/06/1072549106.db2.gz FLWFUNFPYNGHJC-QGZVFWFLSA-N 1 0 437.570 0.149 20 0 ICADRO Cn1cc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCC[NH+]2CCCC2)cn1 ZINC001554332700 1072549817 /nfs/dbraw/zinc/54/98/17/1072549817.db2.gz MPBZWOSQDKZASS-UHFFFAOYSA-N 1 0 436.586 0.636 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(=O)N2CCOCC2)cn1 ZINC001554332771 1072550471 /nfs/dbraw/zinc/55/04/71/1072550471.db2.gz PPGQWPJAERXVIY-UHFFFAOYSA-N 1 0 430.557 0.848 20 0 ICADRO Cn1cc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)cn1 ZINC001554333091 1072550268 /nfs/dbraw/zinc/55/02/68/1072550268.db2.gz CZKJPCHHJQHMMC-HNNXBMFYSA-N 1 0 438.483 0.361 20 0 ICADRO Cn1cc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)cn1 ZINC001554333092 1072550332 /nfs/dbraw/zinc/55/03/32/1072550332.db2.gz CZKJPCHHJQHMMC-OAHLLOKOSA-N 1 0 438.483 0.361 20 0 ICADRO Cn1cc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCOCCS(C)(=O)=O)cn1 ZINC001554333594 1072550980 /nfs/dbraw/zinc/55/09/80/1072550980.db2.gz PCKLQHOVHWXQJN-UHFFFAOYSA-N 1 0 437.570 0.414 20 0 ICADRO Cn1cc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CC(=O)NCC(F)(F)F)cn1 ZINC001554333629 1072551078 /nfs/dbraw/zinc/55/10/78/1072551078.db2.gz QCOAXZHSMULTMN-UHFFFAOYSA-N 1 0 426.447 0.889 20 0 ICADRO Cn1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCOCCS(C)(=O)=O)cn1 ZINC001554333908 1072550845 /nfs/dbraw/zinc/55/08/45/1072550845.db2.gz UCPLKTUJQJSGCO-KRWDZBQOSA-N 1 0 437.570 0.414 20 0 ICADRO Cn1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCOCCS(C)(=O)=O)cn1 ZINC001554333909 1072551010 /nfs/dbraw/zinc/55/10/10/1072551010.db2.gz UCPLKTUJQJSGCO-QGZVFWFLSA-N 1 0 437.570 0.414 20 0 ICADRO Cn1cccc1-c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCNS(C)(=O)=O ZINC001554349660 1072555523 /nfs/dbraw/zinc/55/55/23/1072555523.db2.gz DMGUVJYQCKUNDM-INIZCTEOSA-N 1 0 437.570 0.134 20 0 ICADRO Cn1cccc1-c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCNS(C)(=O)=O ZINC001554349661 1072555427 /nfs/dbraw/zinc/55/54/27/1072555427.db2.gz DMGUVJYQCKUNDM-MRXNPFEDSA-N 1 0 437.570 0.134 20 0 ICADRO Cn1cccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001554350489 1072555468 /nfs/dbraw/zinc/55/54/68/1072555468.db2.gz MNHVGGZNTDKMOZ-KRWDZBQOSA-N 1 0 436.582 0.755 20 0 ICADRO Cn1cccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001554350491 1072555632 /nfs/dbraw/zinc/55/56/32/1072555632.db2.gz MNHVGGZNTDKMOZ-QGZVFWFLSA-N 1 0 436.582 0.755 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554355679 1072559246 /nfs/dbraw/zinc/55/92/46/1072559246.db2.gz BBGPZNRPEKVMFA-KRWDZBQOSA-N 1 0 443.961 0.046 20 0 ICADRO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554355681 1072559450 /nfs/dbraw/zinc/55/94/50/1072559450.db2.gz BBGPZNRPEKVMFA-QGZVFWFLSA-N 1 0 443.961 0.046 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001554355698 1072559416 /nfs/dbraw/zinc/55/94/16/1072559416.db2.gz BFSGCVLLGWVFBS-JXFKEZNVSA-N 1 0 449.581 0.172 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001554355700 1072559314 /nfs/dbraw/zinc/55/93/14/1072559314.db2.gz BFSGCVLLGWVFBS-OXJNMPFZSA-N 1 0 449.581 0.172 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001554355701 1072559876 /nfs/dbraw/zinc/55/98/76/1072559876.db2.gz BFSGCVLLGWVFBS-OXQOHEQNSA-N 1 0 449.581 0.172 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001554355702 1072559775 /nfs/dbraw/zinc/55/97/75/1072559775.db2.gz BFSGCVLLGWVFBS-UZLBHIALSA-N 1 0 449.581 0.172 20 0 ICADRO CN(CCc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554356040 1072559937 /nfs/dbraw/zinc/55/99/37/1072559937.db2.gz DRQKEQLIXZHSLB-NRFANRHFSA-N 1 0 437.508 0.461 20 0 ICADRO CN(CCc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554356041 1072559833 /nfs/dbraw/zinc/55/98/33/1072559833.db2.gz DRQKEQLIXZHSLB-OAQYLSRUSA-N 1 0 437.508 0.461 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccc3F)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001554356139 1072559960 /nfs/dbraw/zinc/55/99/60/1072559960.db2.gz FPZBZUHLSJPWSE-IBGZPJMESA-N 1 0 438.529 0.232 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccc3F)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001554356140 1072559916 /nfs/dbraw/zinc/55/99/16/1072559916.db2.gz FPZBZUHLSJPWSE-LJQANCHMSA-N 1 0 438.529 0.232 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554356247 1072559979 /nfs/dbraw/zinc/55/99/79/1072559979.db2.gz HTGPYBPURLJZEN-NRFANRHFSA-N 1 0 448.955 0.960 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554356248 1072559851 /nfs/dbraw/zinc/55/98/51/1072559851.db2.gz HTGPYBPURLJZEN-OAQYLSRUSA-N 1 0 448.955 0.960 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554356335 1072559808 /nfs/dbraw/zinc/55/98/08/1072559808.db2.gz JRROLETWJOVHBE-NRFANRHFSA-N 1 0 432.500 0.446 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554356336 1072559895 /nfs/dbraw/zinc/55/98/95/1072559895.db2.gz JRROLETWJOVHBE-OAQYLSRUSA-N 1 0 432.500 0.446 20 0 ICADRO CN(CCOCC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554356479 1072560324 /nfs/dbraw/zinc/56/03/24/1072560324.db2.gz MYUNRVNZMKXPEA-NRFANRHFSA-N 1 0 429.525 0.855 20 0 ICADRO CN(CCOCC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554356480 1072560501 /nfs/dbraw/zinc/56/05/01/1072560501.db2.gz MYUNRVNZMKXPEA-OAQYLSRUSA-N 1 0 429.525 0.855 20 0 ICADRO CN(Cc1ncc(Cl)n1C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554356683 1072560451 /nfs/dbraw/zinc/56/04/51/1072560451.db2.gz QXYWLJGNZFSXFA-IBGZPJMESA-N 1 0 436.948 0.604 20 0 ICADRO 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Cn1nnc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001554360107 1072565518 /nfs/dbraw/zinc/56/55/18/1072565518.db2.gz PDTMNSMUQBHDGR-HNNXBMFYSA-N 1 0 430.561 0.181 20 0 ICADRO Cn1nnc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001554360108 1072565804 /nfs/dbraw/zinc/56/58/04/1072565804.db2.gz PDTMNSMUQBHDGR-OAHLLOKOSA-N 1 0 430.561 0.181 20 0 ICADRO CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC001554360539 1072565651 /nfs/dbraw/zinc/56/56/51/1072565651.db2.gz ZHRZLBNRMRMGPI-KRWDZBQOSA-N 1 0 433.557 0.029 20 0 ICADRO CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC001554360542 1072565988 /nfs/dbraw/zinc/56/59/88/1072565988.db2.gz ZHRZLBNRMRMGPI-QGZVFWFLSA-N 1 0 433.557 0.029 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361265 1072565849 /nfs/dbraw/zinc/56/58/49/1072565849.db2.gz UBOCLJJCPZAPCG-CVEARBPZSA-N 1 0 433.557 0.133 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361266 1072565687 /nfs/dbraw/zinc/56/56/87/1072565687.db2.gz UBOCLJJCPZAPCG-HOTGVXAUSA-N 1 0 433.557 0.133 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361267 1072565581 /nfs/dbraw/zinc/56/55/81/1072565581.db2.gz UBOCLJJCPZAPCG-HZPDHXFCSA-N 1 0 433.557 0.133 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361268 1072565926 /nfs/dbraw/zinc/56/59/26/1072565926.db2.gz UBOCLJJCPZAPCG-JKSUJKDBSA-N 1 0 433.557 0.133 20 0 ICADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C ZINC001554361944 1072566307 /nfs/dbraw/zinc/56/63/07/1072566307.db2.gz ZEUAYDMIPOTEGS-CVEARBPZSA-N 1 0 431.585 0.843 20 0 ICADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C ZINC001554361946 1072566388 /nfs/dbraw/zinc/56/63/88/1072566388.db2.gz ZEUAYDMIPOTEGS-HOTGVXAUSA-N 1 0 431.585 0.843 20 0 ICADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C ZINC001554361947 1072566244 /nfs/dbraw/zinc/56/62/44/1072566244.db2.gz ZEUAYDMIPOTEGS-HZPDHXFCSA-N 1 0 431.585 0.843 20 0 ICADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C ZINC001554361948 1072566518 /nfs/dbraw/zinc/56/65/18/1072566518.db2.gz ZEUAYDMIPOTEGS-JKSUJKDBSA-N 1 0 431.585 0.843 20 0 ICADRO CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC001554363434 1072567553 /nfs/dbraw/zinc/56/75/53/1072567553.db2.gz ZAOAWOFKKQWZPZ-DLBZAZTESA-N 1 0 429.500 0.950 20 0 ICADRO CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC001554363437 1072567647 /nfs/dbraw/zinc/56/76/47/1072567647.db2.gz ZAOAWOFKKQWZPZ-IAGOWNOFSA-N 1 0 429.500 0.950 20 0 ICADRO CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC001554363440 1072567687 /nfs/dbraw/zinc/56/76/87/1072567687.db2.gz ZAOAWOFKKQWZPZ-IRXDYDNUSA-N 1 0 429.500 0.950 20 0 ICADRO CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC001554363443 1072567517 /nfs/dbraw/zinc/56/75/17/1072567517.db2.gz ZAOAWOFKKQWZPZ-SJORKVTESA-N 1 0 429.500 0.950 20 0 ICADRO C[N@@H+]1CCN(CCn2c(-c3ccc[nH]3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001554364143 1072568174 /nfs/dbraw/zinc/56/81/74/1072568174.db2.gz CENADDWUCGBKTR-UHFFFAOYSA-N 1 0 444.584 0.770 20 0 ICADRO C[N@@H+]1CCN(CCn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1(C)C ZINC001554364197 1072568518 /nfs/dbraw/zinc/56/85/18/1072568518.db2.gz FFEGMVSKQUTDTH-NRFANRHFSA-N 1 0 427.557 0.463 20 0 ICADRO C[N@@H+]1CCN(CCn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1(C)C ZINC001554364198 1072568361 /nfs/dbraw/zinc/56/83/61/1072568361.db2.gz FFEGMVSKQUTDTH-OAQYLSRUSA-N 1 0 427.557 0.463 20 0 ICADRO C[N@@H+]1CCN(CCn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001554364353 1072568326 /nfs/dbraw/zinc/56/83/26/1072568326.db2.gz LREKEIJJNFXKEX-UHFFFAOYSA-N 1 0 433.582 0.601 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001554364393 1072568446 /nfs/dbraw/zinc/56/84/46/1072568446.db2.gz NGOLLISYXKAPCB-SFHVURJKSA-N 1 0 440.596 0.992 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3ccncc3)nnc2N2CCNC(=O)CC2)CC1(C)C ZINC001554364655 1072569191 /nfs/dbraw/zinc/56/91/91/1072569191.db2.gz RTJJEHTYNVWAIC-UHFFFAOYSA-N 1 0 426.569 0.616 20 0 ICADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364861 1072569366 /nfs/dbraw/zinc/56/93/66/1072569366.db2.gz VHKKSEYWAQGKEX-KRWDZBQOSA-N 1 0 446.600 0.347 20 0 ICADRO C[N@@H+]1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364862 1072569107 /nfs/dbraw/zinc/56/91/07/1072569107.db2.gz VHKKSEYWAQGKEX-QGZVFWFLSA-N 1 0 446.600 0.347 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001554365039 1072569282 /nfs/dbraw/zinc/56/92/82/1072569282.db2.gz XKKYAAXNGSSHOK-UHFFFAOYSA-N 1 0 447.609 0.525 20 0 ICADRO Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001554368471 1072571662 /nfs/dbraw/zinc/57/16/62/1072571662.db2.gz RNMWGNFUXRVKNI-HNNXBMFYSA-N 1 0 436.586 0.668 20 0 ICADRO Cn1nncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001554368472 1072571866 /nfs/dbraw/zinc/57/18/66/1072571866.db2.gz RNMWGNFUXRVKNI-OAHLLOKOSA-N 1 0 436.586 0.668 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001554368624 1072572218 /nfs/dbraw/zinc/57/22/18/1072572218.db2.gz UFFKZPUVGYJQAU-INIZCTEOSA-N 1 0 435.573 0.443 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001554368625 1072572434 /nfs/dbraw/zinc/57/24/34/1072572434.db2.gz UFFKZPUVGYJQAU-MRXNPFEDSA-N 1 0 435.573 0.443 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001554368669 1072572386 /nfs/dbraw/zinc/57/23/86/1072572386.db2.gz VUDOKCVYVTZNMK-UHFFFAOYSA-N 1 0 447.584 0.587 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001554372826 1072572852 /nfs/dbraw/zinc/57/28/52/1072572852.db2.gz UPRLZRHAFJIDRG-INIZCTEOSA-N 1 0 430.557 0.609 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001554372830 1072573138 /nfs/dbraw/zinc/57/31/38/1072573138.db2.gz UPRLZRHAFJIDRG-MRXNPFEDSA-N 1 0 430.557 0.609 20 0 ICADRO CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001554374851 1072574140 /nfs/dbraw/zinc/57/41/40/1072574140.db2.gz USLIEMDSZAPXAP-KRWDZBQOSA-N 1 0 447.584 0.299 20 0 ICADRO CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001554374852 1072574253 /nfs/dbraw/zinc/57/42/53/1072574253.db2.gz USLIEMDSZAPXAP-QGZVFWFLSA-N 1 0 447.584 0.299 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001554378981 1072575566 /nfs/dbraw/zinc/57/55/66/1072575566.db2.gz AJQAPUMQKVSFJO-INIZCTEOSA-N 1 0 435.573 0.443 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001554378982 1072575523 /nfs/dbraw/zinc/57/55/23/1072575523.db2.gz AJQAPUMQKVSFJO-MRXNPFEDSA-N 1 0 435.573 0.443 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001554380406 1072575978 /nfs/dbraw/zinc/57/59/78/1072575978.db2.gz SALMBQLOYOOZEE-INIZCTEOSA-N 1 0 435.573 0.179 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001554380407 1072576692 /nfs/dbraw/zinc/57/66/92/1072576692.db2.gz SALMBQLOYOOZEE-MRXNPFEDSA-N 1 0 435.573 0.179 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001554380720 1072576601 /nfs/dbraw/zinc/57/66/01/1072576601.db2.gz VQNJBAXMHISVTN-KRWDZBQOSA-N 1 0 449.600 0.880 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001554380722 1072576733 /nfs/dbraw/zinc/57/67/33/1072576733.db2.gz VQNJBAXMHISVTN-QGZVFWFLSA-N 1 0 449.600 0.880 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001554381754 1072577248 /nfs/dbraw/zinc/57/72/48/1072577248.db2.gz ONSKAXOQLBZROM-ILXRZTDVSA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001554381755 1072577417 /nfs/dbraw/zinc/57/74/17/1072577417.db2.gz ONSKAXOQLBZROM-KFWWJZLASA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001554381757 1072577155 /nfs/dbraw/zinc/57/71/55/1072577155.db2.gz ONSKAXOQLBZROM-QLFBSQMISA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001554381759 1072577292 /nfs/dbraw/zinc/57/72/92/1072577292.db2.gz ONSKAXOQLBZROM-RBSFLKMASA-N 1 0 429.591 0.191 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCCC1 ZINC001554382578 1072577215 /nfs/dbraw/zinc/57/72/15/1072577215.db2.gz TVIPFMWPVOIVHY-CABCVRRESA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCCC1 ZINC001554382580 1072577404 /nfs/dbraw/zinc/57/74/04/1072577404.db2.gz TVIPFMWPVOIVHY-GJZGRUSLSA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCCC1 ZINC001554382582 1072577182 /nfs/dbraw/zinc/57/71/82/1072577182.db2.gz TVIPFMWPVOIVHY-HUUCEWRRSA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCCC1 ZINC001554382583 1072577351 /nfs/dbraw/zinc/57/73/51/1072577351.db2.gz TVIPFMWPVOIVHY-LSDHHAIUSA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001554386001 1072578288 /nfs/dbraw/zinc/57/82/88/1072578288.db2.gz AEJMZOBWDNVKTJ-DLBZAZTESA-N 1 0 430.557 0.910 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001554386002 1072578376 /nfs/dbraw/zinc/57/83/76/1072578376.db2.gz AEJMZOBWDNVKTJ-IAGOWNOFSA-N 1 0 430.557 0.910 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001554386003 1072578506 /nfs/dbraw/zinc/57/85/06/1072578506.db2.gz AEJMZOBWDNVKTJ-IRXDYDNUSA-N 1 0 430.557 0.910 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001554386004 1072578566 /nfs/dbraw/zinc/57/85/66/1072578566.db2.gz AEJMZOBWDNVKTJ-SJORKVTESA-N 1 0 430.557 0.910 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001554387691 1072578822 /nfs/dbraw/zinc/57/88/22/1072578822.db2.gz IVADCCCCZIDXSN-KRWDZBQOSA-N 1 0 445.616 0.771 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001554387695 1072578919 /nfs/dbraw/zinc/57/89/19/1072578919.db2.gz IVADCCCCZIDXSN-QGZVFWFLSA-N 1 0 445.616 0.771 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001554388253 1072579388 /nfs/dbraw/zinc/57/93/88/1072579388.db2.gz JFMCKZGFIDPTAH-CVEARBPZSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001554388256 1072579235 /nfs/dbraw/zinc/57/92/35/1072579235.db2.gz JFMCKZGFIDPTAH-HOTGVXAUSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001554388259 1072579349 /nfs/dbraw/zinc/57/93/49/1072579349.db2.gz JFMCKZGFIDPTAH-HZPDHXFCSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001554388261 1072579304 /nfs/dbraw/zinc/57/93/04/1072579304.db2.gz JFMCKZGFIDPTAH-JKSUJKDBSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001554391421 1072580885 /nfs/dbraw/zinc/58/08/85/1072580885.db2.gz GWNDUERZMMDIOM-CVEARBPZSA-N 1 0 426.587 0.484 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001554391422 1072580789 /nfs/dbraw/zinc/58/07/89/1072580789.db2.gz GWNDUERZMMDIOM-HOTGVXAUSA-N 1 0 426.587 0.484 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001554391423 1072580625 /nfs/dbraw/zinc/58/06/25/1072580625.db2.gz GWNDUERZMMDIOM-HZPDHXFCSA-N 1 0 426.587 0.484 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001554391424 1072580602 /nfs/dbraw/zinc/58/06/02/1072580602.db2.gz GWNDUERZMMDIOM-JKSUJKDBSA-N 1 0 426.587 0.484 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001554391777 1072581543 /nfs/dbraw/zinc/58/15/43/1072581543.db2.gz MQTOVNDWKPBMBQ-BZUAXINKSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001554391778 1072581280 /nfs/dbraw/zinc/58/12/80/1072581280.db2.gz MQTOVNDWKPBMBQ-OAGGEKHMSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001554391779 1072581400 /nfs/dbraw/zinc/58/14/00/1072581400.db2.gz MQTOVNDWKPBMBQ-OWCLPIDISA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001554391780 1072581484 /nfs/dbraw/zinc/58/14/84/1072581484.db2.gz MQTOVNDWKPBMBQ-PMPSAXMXSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1CCC(O)CC1 ZINC001554393075 1072581916 /nfs/dbraw/zinc/58/19/16/1072581916.db2.gz FMLWDKRYDLGMCK-INIZCTEOSA-N 1 0 446.600 0.805 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1CCC(O)CC1 ZINC001554393076 1072582024 /nfs/dbraw/zinc/58/20/24/1072582024.db2.gz FMLWDKRYDLGMCK-MRXNPFEDSA-N 1 0 446.600 0.805 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001554396859 1072583131 /nfs/dbraw/zinc/58/31/31/1072583131.db2.gz NWHWVTNAKSYIGQ-DRSNIGMVSA-N 1 0 449.600 0.878 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001554396860 1072583332 /nfs/dbraw/zinc/58/33/32/1072583332.db2.gz NWHWVTNAKSYIGQ-HYFFOGBASA-N 1 0 449.600 0.878 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001554396861 1072583078 /nfs/dbraw/zinc/58/30/78/1072583078.db2.gz NWHWVTNAKSYIGQ-JKSBSHDWSA-N 1 0 449.600 0.878 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001554396862 1072583213 /nfs/dbraw/zinc/58/32/13/1072583213.db2.gz NWHWVTNAKSYIGQ-PNLZDCPESA-N 1 0 449.600 0.878 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001554402415 1072585720 /nfs/dbraw/zinc/58/57/20/1072585720.db2.gz LBEDYBZXIKGHPA-FOIQADDNSA-N 1 0 433.557 0.302 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001554402416 1072585866 /nfs/dbraw/zinc/58/58/66/1072585866.db2.gz LBEDYBZXIKGHPA-MGPUTAFESA-N 1 0 433.557 0.302 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001554402417 1072586005 /nfs/dbraw/zinc/58/60/05/1072586005.db2.gz LBEDYBZXIKGHPA-QRWLVFNGSA-N 1 0 433.557 0.302 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001554402418 1072585714 /nfs/dbraw/zinc/58/57/14/1072585714.db2.gz LBEDYBZXIKGHPA-YWZLYKJASA-N 1 0 433.557 0.302 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001554402815 1072585963 /nfs/dbraw/zinc/58/59/63/1072585963.db2.gz PBJFFCLNGZXNHB-HRAATJIYSA-N 1 0 428.541 0.666 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001554402817 1072585737 /nfs/dbraw/zinc/58/57/37/1072585737.db2.gz PBJFFCLNGZXNHB-IERDGZPVSA-N 1 0 428.541 0.666 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001554402819 1072586361 /nfs/dbraw/zinc/58/63/61/1072586361.db2.gz PBJFFCLNGZXNHB-IIBYNOLFSA-N 1 0 428.541 0.666 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001554402821 1072586398 /nfs/dbraw/zinc/58/63/98/1072586398.db2.gz PBJFFCLNGZXNHB-KKSFZXQISA-N 1 0 428.541 0.666 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001554408669 1072589997 /nfs/dbraw/zinc/58/99/97/1072589997.db2.gz WUIVSMBUHIDRHA-HTAPYJJXSA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001554408676 1072589791 /nfs/dbraw/zinc/58/97/91/1072589791.db2.gz WUIVSMBUHIDRHA-JTSKRJEESA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001554408683 1072589864 /nfs/dbraw/zinc/58/98/64/1072589864.db2.gz WUIVSMBUHIDRHA-VGOFRKELSA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001554408690 1072589831 /nfs/dbraw/zinc/58/98/31/1072589831.db2.gz WUIVSMBUHIDRHA-VGSWGCGISA-N 1 0 434.585 0.981 20 0 ICADRO CNC(=O)c1cccc(CCn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001554413053 1072591216 /nfs/dbraw/zinc/59/12/16/1072591216.db2.gz KVBABHYHWOGCHB-FQEVSTJZSA-N 1 0 439.564 0.932 20 0 ICADRO CNC(=O)c1cccc(CCn2c(C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001554413055 1072591051 /nfs/dbraw/zinc/59/10/51/1072591051.db2.gz KVBABHYHWOGCHB-HXUWFJFHSA-N 1 0 439.564 0.932 20 0 ICADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C)n3C[C@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001554416515 1072592509 /nfs/dbraw/zinc/59/25/09/1072592509.db2.gz FTWLCMSKHJBUMA-AEFFLSMTSA-N 1 0 430.557 0.952 20 0 ICADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C)n3C[C@@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001554416516 1072592425 /nfs/dbraw/zinc/59/24/25/1072592425.db2.gz FTWLCMSKHJBUMA-FUHWJXTLSA-N 1 0 430.557 0.952 20 0 ICADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C)n3C[C@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001554416517 1072592275 /nfs/dbraw/zinc/59/22/75/1072592275.db2.gz FTWLCMSKHJBUMA-SJLPKXTDSA-N 1 0 430.557 0.952 20 0 ICADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C)n3C[C@@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001554416518 1072592468 /nfs/dbraw/zinc/59/24/68/1072592468.db2.gz FTWLCMSKHJBUMA-WMZOPIPTSA-N 1 0 430.557 0.952 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)CCOC)C1 ZINC001554417810 1072593034 /nfs/dbraw/zinc/59/30/34/1072593034.db2.gz KPWJCMFRHJILFR-KRWDZBQOSA-N 1 0 435.573 0.445 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)CCOC)C1 ZINC001554417811 1072593222 /nfs/dbraw/zinc/59/32/22/1072593222.db2.gz KPWJCMFRHJILFR-QGZVFWFLSA-N 1 0 435.573 0.445 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001554418834 1072593961 /nfs/dbraw/zinc/59/39/61/1072593961.db2.gz ROSZDJDYSZSVTQ-MSOLQXFVSA-N 1 0 447.584 0.323 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001554418835 1072593708 /nfs/dbraw/zinc/59/37/08/1072593708.db2.gz ROSZDJDYSZSVTQ-QZTJIDSGSA-N 1 0 447.584 0.323 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001554418836 1072593560 /nfs/dbraw/zinc/59/35/60/1072593560.db2.gz ROSZDJDYSZSVTQ-ROUUACIJSA-N 1 0 447.584 0.323 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001554418837 1072593877 /nfs/dbraw/zinc/59/38/77/1072593877.db2.gz ROSZDJDYSZSVTQ-ZWKOTPCHSA-N 1 0 447.584 0.323 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001554422399 1072595128 /nfs/dbraw/zinc/59/51/28/1072595128.db2.gz KMEXSGXHOVENIL-DOTOQJQBSA-N 1 0 438.540 0.833 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001554422400 1072595014 /nfs/dbraw/zinc/59/50/14/1072595014.db2.gz KMEXSGXHOVENIL-NVXWUHKLSA-N 1 0 438.540 0.833 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001554422402 1072595031 /nfs/dbraw/zinc/59/50/31/1072595031.db2.gz KMEXSGXHOVENIL-RDJZCZTQSA-N 1 0 438.540 0.833 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001554422404 1072594860 /nfs/dbraw/zinc/59/48/60/1072594860.db2.gz KMEXSGXHOVENIL-WBVHZDCISA-N 1 0 438.540 0.833 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001554422866 1072594841 /nfs/dbraw/zinc/59/48/41/1072594841.db2.gz ACLYSXBNUAPURV-KRWDZBQOSA-N 1 0 444.584 0.876 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001554422870 1072595511 /nfs/dbraw/zinc/59/55/11/1072595511.db2.gz ACLYSXBNUAPURV-QGZVFWFLSA-N 1 0 444.584 0.876 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001554425834 1072596150 /nfs/dbraw/zinc/59/61/50/1072596150.db2.gz JKWFABPGPXQFJY-BRWVUGGUSA-N 1 0 433.557 0.038 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001554425835 1072596421 /nfs/dbraw/zinc/59/64/21/1072596421.db2.gz JKWFABPGPXQFJY-IKGGRYGDSA-N 1 0 433.557 0.038 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001554425836 1072596281 /nfs/dbraw/zinc/59/62/81/1072596281.db2.gz JKWFABPGPXQFJY-IXDOHACOSA-N 1 0 433.557 0.038 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001554425837 1072596044 /nfs/dbraw/zinc/59/60/44/1072596044.db2.gz JKWFABPGPXQFJY-ZACQAIPSSA-N 1 0 433.557 0.038 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001554427130 1072596787 /nfs/dbraw/zinc/59/67/87/1072596787.db2.gz FNMRDEMNUDTSEC-DLBZAZTESA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001554427131 1072596975 /nfs/dbraw/zinc/59/69/75/1072596975.db2.gz FNMRDEMNUDTSEC-IAGOWNOFSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001554427132 1072597012 /nfs/dbraw/zinc/59/70/12/1072597012.db2.gz FNMRDEMNUDTSEC-IRXDYDNUSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001554427133 1072596904 /nfs/dbraw/zinc/59/69/04/1072596904.db2.gz FNMRDEMNUDTSEC-SJORKVTESA-N 1 0 440.614 0.873 20 0 ICADRO 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CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001554444321 1072610526 /nfs/dbraw/zinc/61/05/26/1072610526.db2.gz LXPWHKLMENRKGS-ROUUACIJSA-N 1 0 438.573 0.685 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001554444322 1072610565 /nfs/dbraw/zinc/61/05/65/1072610565.db2.gz LXPWHKLMENRKGS-ZWKOTPCHSA-N 1 0 438.573 0.685 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCOCC[NH+](C)C)CCO1 ZINC001554445179 1072611852 /nfs/dbraw/zinc/61/18/52/1072611852.db2.gz WZBINUJYULIEEZ-GOSISDBHSA-N 1 0 432.525 0.483 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCOCC[NH+](C)C)CCO1 ZINC001554445180 1072611817 /nfs/dbraw/zinc/61/18/17/1072611817.db2.gz WZBINUJYULIEEZ-SFHVURJKSA-N 1 0 432.525 0.483 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC001554445501 1072612333 /nfs/dbraw/zinc/61/23/33/1072612333.db2.gz YFEPXDYDNJPCGM-FQEVSTJZSA-N 1 0 428.537 0.543 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC001554445502 1072612376 /nfs/dbraw/zinc/61/23/76/1072612376.db2.gz YFEPXDYDNJPCGM-HXUWFJFHSA-N 1 0 428.537 0.543 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001554445713 1072612855 /nfs/dbraw/zinc/61/28/55/1072612855.db2.gz BKHDFBOWWDQRKW-LMMKCTJWSA-N 1 0 443.552 0.791 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001554445714 1072612865 /nfs/dbraw/zinc/61/28/65/1072612865.db2.gz BKHDFBOWWDQRKW-LNLFQRSKSA-N 1 0 443.552 0.791 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001554445715 1072612976 /nfs/dbraw/zinc/61/29/76/1072612976.db2.gz BKHDFBOWWDQRKW-SCTDSRPQSA-N 1 0 443.552 0.791 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001554445716 1072613080 /nfs/dbraw/zinc/61/30/80/1072613080.db2.gz BKHDFBOWWDQRKW-ZIFCJYIRSA-N 1 0 443.552 0.791 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001554445899 1072613125 /nfs/dbraw/zinc/61/31/25/1072613125.db2.gz FTNILAALLKNYLY-GOSISDBHSA-N 1 0 429.525 0.138 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001554445900 1072613201 /nfs/dbraw/zinc/61/32/01/1072613201.db2.gz FTNILAALLKNYLY-SFHVURJKSA-N 1 0 429.525 0.138 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001554445993 1072613223 /nfs/dbraw/zinc/61/32/23/1072613223.db2.gz HYGKVEQDKOAKRC-HKUYNNGSSA-N 1 0 445.568 0.472 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001554445994 1072613139 /nfs/dbraw/zinc/61/31/39/1072613139.db2.gz HYGKVEQDKOAKRC-IEBWSBKVSA-N 1 0 445.568 0.472 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001554445995 1072612932 /nfs/dbraw/zinc/61/29/32/1072612932.db2.gz HYGKVEQDKOAKRC-MJGOQNOKSA-N 1 0 445.568 0.472 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001554445996 1072612889 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JCBNTTXMDNWPQX-SFHVURJKSA-N 1 0 434.516 0.537 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001554447485 1072617612 /nfs/dbraw/zinc/61/76/12/1072617612.db2.gz UTSSWCMSDFWPOX-BQFCYCMXSA-N 1 0 446.556 0.129 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001554447486 1072617557 /nfs/dbraw/zinc/61/75/57/1072617557.db2.gz UTSSWCMSDFWPOX-JZXOWHBKSA-N 1 0 446.556 0.129 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001554447487 1072617666 /nfs/dbraw/zinc/61/76/66/1072617666.db2.gz UTSSWCMSDFWPOX-NUJGCVRESA-N 1 0 446.556 0.129 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001554447488 1072617621 /nfs/dbraw/zinc/61/76/21/1072617621.db2.gz UTSSWCMSDFWPOX-SOLBZPMBSA-N 1 0 446.556 0.129 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001554447513 1072618268 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COCCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001555703554 1072848425 /nfs/dbraw/zinc/84/84/25/1072848425.db2.gz LTXNXMKJUWFCDC-QZTJIDSGSA-N 1 0 449.600 0.497 20 0 ICADRO COCCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001555703555 1072848068 /nfs/dbraw/zinc/84/80/68/1072848068.db2.gz LTXNXMKJUWFCDC-ROUUACIJSA-N 1 0 449.600 0.497 20 0 ICADRO COCCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001555703556 1072848175 /nfs/dbraw/zinc/84/81/75/1072848175.db2.gz LTXNXMKJUWFCDC-ZWKOTPCHSA-N 1 0 449.600 0.497 20 0 ICADRO COCCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCSCC2)C1 ZINC001555707025 1072849198 /nfs/dbraw/zinc/84/91/98/1072849198.db2.gz GZNIAJPNPXBBNJ-KRWDZBQOSA-N 1 0 438.598 0.691 20 0 ICADRO COCCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCSCC2)C1 ZINC001555707026 1072849282 /nfs/dbraw/zinc/84/92/82/1072849282.db2.gz GZNIAJPNPXBBNJ-QGZVFWFLSA-N 1 0 438.598 0.691 20 0 ICADRO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001555717735 1072851189 /nfs/dbraw/zinc/85/11/89/1072851189.db2.gz QOBXILXETXDVAC-KSZLIROESA-N 1 0 441.598 0.906 20 0 ICADRO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001555717736 1072851035 /nfs/dbraw/zinc/85/10/35/1072851035.db2.gz QOBXILXETXDVAC-KURKYZTESA-N 1 0 441.598 0.906 20 0 ICADRO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001555717737 1072851269 /nfs/dbraw/zinc/85/12/69/1072851269.db2.gz QOBXILXETXDVAC-KZNAEPCWSA-N 1 0 441.598 0.906 20 0 ICADRO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001555717738 1072851112 /nfs/dbraw/zinc/85/11/12/1072851112.db2.gz QOBXILXETXDVAC-RCCFBDPRSA-N 1 0 441.598 0.906 20 0 ICADRO COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001555723918 1072852866 /nfs/dbraw/zinc/85/28/66/1072852866.db2.gz XJIRLNMXCPEEDI-MSOLQXFVSA-N 1 0 436.557 0.441 20 0 ICADRO COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001555723919 1072853072 /nfs/dbraw/zinc/85/30/72/1072853072.db2.gz XJIRLNMXCPEEDI-QZTJIDSGSA-N 1 0 436.557 0.441 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001555728643 1072854617 /nfs/dbraw/zinc/85/46/17/1072854617.db2.gz SNHUEXNGJXTKCM-FJIDUMEYSA-N 1 0 441.598 0.966 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001555728646 1072854425 /nfs/dbraw/zinc/85/44/25/1072854425.db2.gz SNHUEXNGJXTKCM-MHORFTMASA-N 1 0 441.598 0.966 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001555728647 1072854715 /nfs/dbraw/zinc/85/47/15/1072854715.db2.gz SNHUEXNGJXTKCM-MLHJIOFPSA-N 1 0 441.598 0.966 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001555728650 1072854661 /nfs/dbraw/zinc/85/46/61/1072854661.db2.gz SNHUEXNGJXTKCM-XSLAGTTESA-N 1 0 441.598 0.966 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCNC(=O)C(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001555734929 1072855506 /nfs/dbraw/zinc/85/55/06/1072855506.db2.gz BRHRDQLGIBKUMV-FIKGOQFSSA-N 1 0 438.573 0.277 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCNC(=O)C(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001555734930 1072855478 /nfs/dbraw/zinc/85/54/78/1072855478.db2.gz BRHRDQLGIBKUMV-XGHQBKJUSA-N 1 0 438.573 0.277 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001555740150 1072856857 /nfs/dbraw/zinc/85/68/57/1072856857.db2.gz KXPYDWWLHBJCJT-IRXDYDNUSA-N 1 0 438.598 0.753 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001555740583 1072857456 /nfs/dbraw/zinc/85/74/56/1072857456.db2.gz WRMBVTRBAFCOGL-FJIDUMEYSA-N 1 0 436.557 0.161 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001555740584 1072857482 /nfs/dbraw/zinc/85/74/82/1072857482.db2.gz WRMBVTRBAFCOGL-OWSLCNJRSA-N 1 0 436.557 0.161 20 0 ICADRO 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ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCS(=O)(=O)N(C)C ZINC001555751308 1072859755 /nfs/dbraw/zinc/85/97/55/1072859755.db2.gz GNUSTMYASHRZSP-IRXDYDNUSA-N 1 0 444.602 0.424 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001555752150 1072860230 /nfs/dbraw/zinc/86/02/30/1072860230.db2.gz UPYDZCFUECYFOU-WMZOPIPTSA-N 1 0 446.556 0.686 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCNS(C)(=O)=O ZINC001555752274 1072860386 /nfs/dbraw/zinc/86/03/86/1072860386.db2.gz BYYXNOZNXUBVRC-IRXDYDNUSA-N 1 0 442.586 0.083 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCNS(C)(=O)=O ZINC001555752535 1072860106 /nfs/dbraw/zinc/86/01/06/1072860106.db2.gz ANZAZTGHGCZLFO-BBWFWOEESA-N 1 0 442.586 0.226 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCNS(C)(=O)=O ZINC001555752536 1072860179 /nfs/dbraw/zinc/86/01/79/1072860179.db2.gz ANZAZTGHGCZLFO-ULQDDVLXSA-N 1 0 442.586 0.226 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCNC(=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001555752786 1072860823 /nfs/dbraw/zinc/86/08/23/1072860823.db2.gz FVIADEVUSOOLBK-ICSRJNTNSA-N 1 0 449.600 0.212 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)N(C)C ZINC001555753070 1072860838 /nfs/dbraw/zinc/86/08/38/1072860838.db2.gz IUYSFJPKCQMFSD-AOIWGVFYSA-N 1 0 436.557 0.249 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)N(C)C ZINC001555753071 1072860701 /nfs/dbraw/zinc/86/07/01/1072860701.db2.gz IUYSFJPKCQMFSD-LNLFQRSKSA-N 1 0 436.557 0.249 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001555753173 1072861338 /nfs/dbraw/zinc/86/13/38/1072861338.db2.gz KJESXXCVHNIJII-FHWLQOOXSA-N 1 0 438.573 0.101 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001555753175 1072861166 /nfs/dbraw/zinc/86/11/66/1072861166.db2.gz KJESXXCVHNIJII-OTWHNJEPSA-N 1 0 438.573 0.101 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCNC(=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001555753550 1072861394 /nfs/dbraw/zinc/86/13/94/1072861394.db2.gz RHOAQWLOLHRVKS-WMZOPIPTSA-N 1 0 436.557 0.439 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001555756294 1072862392 /nfs/dbraw/zinc/86/23/92/1072862392.db2.gz GKRNZXXNRZPWJI-BZSNNMDCSA-N 1 0 441.598 0.418 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001555756295 1072862196 /nfs/dbraw/zinc/86/21/96/1072862196.db2.gz GKRNZXXNRZPWJI-KSZLIROESA-N 1 0 441.598 0.418 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+](C)C(C)C ZINC001555757024 1072862846 /nfs/dbraw/zinc/86/28/46/1072862846.db2.gz KGTKMWOHHQCELL-FAJBIJEISA-N 1 0 439.557 0.703 20 0 ICADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1CCCC[NH+]1CCOCC1 ZINC001555758232 1072863387 /nfs/dbraw/zinc/86/33/87/1072863387.db2.gz YTJNBKGIIKJMMX-ROUUACIJSA-N 1 0 441.598 0.683 20 0 ICADRO CON(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001555764008 1072863678 /nfs/dbraw/zinc/86/36/78/1072863678.db2.gz AFLVNAOEIHEABO-HNNXBMFYSA-N 1 0 433.513 0.946 20 0 ICADRO CON(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001555764009 1072863903 /nfs/dbraw/zinc/86/39/03/1072863903.db2.gz AFLVNAOEIHEABO-OAHLLOKOSA-N 1 0 433.513 0.946 20 0 ICADRO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001555765920 1072864393 /nfs/dbraw/zinc/86/43/93/1072864393.db2.gz IRLOFBBXHFKNLA-CVEARBPZSA-N 1 0 428.559 0.626 20 0 ICADRO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001555765922 1072864279 /nfs/dbraw/zinc/86/42/79/1072864279.db2.gz IRLOFBBXHFKNLA-HOTGVXAUSA-N 1 0 428.559 0.626 20 0 ICADRO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001555765925 1072864316 /nfs/dbraw/zinc/86/43/16/1072864316.db2.gz IRLOFBBXHFKNLA-HZPDHXFCSA-N 1 0 428.559 0.626 20 0 ICADRO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001555765926 1072864184 /nfs/dbraw/zinc/86/41/84/1072864184.db2.gz IRLOFBBXHFKNLA-JKSUJKDBSA-N 1 0 428.559 0.626 20 0 ICADRO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001555766722 1072864374 /nfs/dbraw/zinc/86/43/74/1072864374.db2.gz UIOHNOAMRBJDDJ-HNNXBMFYSA-N 1 0 430.575 0.873 20 0 ICADRO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001555766723 1072864229 /nfs/dbraw/zinc/86/42/29/1072864229.db2.gz UIOHNOAMRBJDDJ-OAHLLOKOSA-N 1 0 430.575 0.873 20 0 ICADRO CO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001555772866 1072864649 /nfs/dbraw/zinc/86/46/49/1072864649.db2.gz CIWVKYBTCZZNGG-DLBZAZTESA-N 1 0 440.614 0.431 20 0 ICADRO CO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001555772867 1072864819 /nfs/dbraw/zinc/86/48/19/1072864819.db2.gz CIWVKYBTCZZNGG-IAGOWNOFSA-N 1 0 440.614 0.431 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C[C@@H]1OC ZINC001555788344 1072867735 /nfs/dbraw/zinc/86/77/35/1072867735.db2.gz NMTITUAHIPNSRZ-HRCADAONSA-N 1 0 430.575 0.224 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C[C@@H]1OC ZINC001555788346 1072867785 /nfs/dbraw/zinc/86/77/85/1072867785.db2.gz NMTITUAHIPNSRZ-OAGGEKHMSA-N 1 0 430.575 0.224 20 0 ICADRO CO[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1OC ZINC001555788489 1072867627 /nfs/dbraw/zinc/86/76/27/1072867627.db2.gz CFTQKZHVGQZASG-QRQLOZEOSA-N 1 0 431.541 0.822 20 0 ICADRO CO[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1OC ZINC001555788490 1072867677 /nfs/dbraw/zinc/86/76/77/1072867677.db2.gz CFTQKZHVGQZASG-YTQUADARSA-N 1 0 431.541 0.822 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1OC ZINC001555788742 1072868174 /nfs/dbraw/zinc/86/81/74/1072868174.db2.gz FWDITIARLCYPSQ-LUKYLMHMSA-N 1 0 427.571 0.370 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1OC ZINC001555788744 1072868280 /nfs/dbraw/zinc/86/82/80/1072868280.db2.gz FWDITIARLCYPSQ-TWMKSMIVSA-N 1 0 427.571 0.370 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1OC ZINC001555788746 1072868243 /nfs/dbraw/zinc/86/82/43/1072868243.db2.gz FWDITIARLCYPSQ-VQHPVUNQSA-N 1 0 427.571 0.370 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1OC ZINC001555788748 1072868147 /nfs/dbraw/zinc/86/81/47/1072868147.db2.gz FWDITIARLCYPSQ-VVLHAWIVSA-N 1 0 427.571 0.370 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1OC ZINC001555789408 1072868951 /nfs/dbraw/zinc/86/89/51/1072868951.db2.gz VZBVJDOFRIVYEG-HRCADAONSA-N 1 0 430.575 0.224 20 0 ICADRO CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1OC ZINC001555789409 1072868875 /nfs/dbraw/zinc/86/88/75/1072868875.db2.gz VZBVJDOFRIVYEG-OAGGEKHMSA-N 1 0 430.575 0.224 20 0 ICADRO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1OC ZINC001555791078 1072869331 /nfs/dbraw/zinc/86/93/31/1072869331.db2.gz FRFRFMCBQXINPG-HDICACEKSA-N 1 0 436.557 0.097 20 0 ICADRO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1OC ZINC001555791264 1072869495 /nfs/dbraw/zinc/86/94/95/1072869495.db2.gz IZJPSEYEWFXKCI-CALCHBBNSA-N 1 0 436.557 0.361 20 0 ICADRO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1OC ZINC001555791455 1072869195 /nfs/dbraw/zinc/86/91/95/1072869195.db2.gz QOZZXQJFYXHGQT-KURKYZTESA-N 1 0 436.557 0.097 20 0 ICADRO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1OC ZINC001555791456 1072869273 /nfs/dbraw/zinc/86/92/73/1072869273.db2.gz QOZZXQJFYXHGQT-OKZBNKHCSA-N 1 0 436.557 0.097 20 0 ICADRO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[NH+]2CCCC2)c1 ZINC001555793473 1072870150 /nfs/dbraw/zinc/87/01/50/1072870150.db2.gz QVDCJEMVHBQMLC-INIZCTEOSA-N 1 0 432.550 0.756 20 0 ICADRO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[NH+]2CCCC2)c1 ZINC001555793475 1072870242 /nfs/dbraw/zinc/87/02/42/1072870242.db2.gz QVDCJEMVHBQMLC-MRXNPFEDSA-N 1 0 432.550 0.756 20 0 ICADRO CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001555797272 1072871461 /nfs/dbraw/zinc/87/14/61/1072871461.db2.gz SQZZBSMDAURMCS-KRWDZBQOSA-N 1 0 434.566 0.810 20 0 ICADRO CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001555797275 1072871434 /nfs/dbraw/zinc/87/14/34/1072871434.db2.gz SQZZBSMDAURMCS-QGZVFWFLSA-N 1 0 434.566 0.810 20 0 ICADRO CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797436 1072871389 /nfs/dbraw/zinc/87/13/89/1072871389.db2.gz UWPRQRMBKYWJHV-MSOLQXFVSA-N 1 0 434.566 0.810 20 0 ICADRO CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797437 1072871602 /nfs/dbraw/zinc/87/16/02/1072871602.db2.gz UWPRQRMBKYWJHV-QZTJIDSGSA-N 1 0 434.566 0.810 20 0 ICADRO CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797438 1072871544 /nfs/dbraw/zinc/87/15/44/1072871544.db2.gz UWPRQRMBKYWJHV-ROUUACIJSA-N 1 0 434.566 0.810 20 0 ICADRO CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797439 1072871709 /nfs/dbraw/zinc/87/17/09/1072871709.db2.gz UWPRQRMBKYWJHV-ZWKOTPCHSA-N 1 0 434.566 0.810 20 0 ICADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797550 1072872133 /nfs/dbraw/zinc/87/21/33/1072872133.db2.gz NRGSYXYVFCRKFE-FGTMMUONSA-N 1 0 441.598 0.642 20 0 ICADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797551 1072872018 /nfs/dbraw/zinc/87/20/18/1072872018.db2.gz NRGSYXYVFCRKFE-KZNAEPCWSA-N 1 0 441.598 0.642 20 0 ICADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797552 1072872098 /nfs/dbraw/zinc/87/20/98/1072872098.db2.gz NRGSYXYVFCRKFE-OKZBNKHCSA-N 1 0 441.598 0.642 20 0 ICADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001555797553 1072872245 /nfs/dbraw/zinc/87/22/45/1072872245.db2.gz NRGSYXYVFCRKFE-RCCFBDPRSA-N 1 0 441.598 0.642 20 0 ICADRO CS(=O)(=O)CCCn1c(CC2CC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001555804729 1072877450 /nfs/dbraw/zinc/87/74/50/1072877450.db2.gz CDPFOHUIDMUZIJ-UHFFFAOYSA-N 1 0 438.598 0.410 20 0 ICADRO CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001555805573 1072877976 /nfs/dbraw/zinc/87/79/76/1072877976.db2.gz YLPOJQBDXUWGIY-KRWDZBQOSA-N 1 0 438.598 0.900 20 0 ICADRO CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001555805574 1072878004 /nfs/dbraw/zinc/87/80/04/1072878004.db2.gz YLPOJQBDXUWGIY-QGZVFWFLSA-N 1 0 438.598 0.900 20 0 ICADRO CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001555808067 1072881001 /nfs/dbraw/zinc/88/10/01/1072881001.db2.gz OHTVPKAORPXVMP-UHFFFAOYSA-N 1 0 438.598 0.900 20 0 ICADRO CS(=O)(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCC2)CC1 ZINC001555809408 1072882406 /nfs/dbraw/zinc/88/24/06/1072882406.db2.gz UBEQZZRRXHWGCF-UHFFFAOYSA-N 1 0 439.586 0.082 20 0 ICADRO CS(=O)(=O)N1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001555810023 1072882841 /nfs/dbraw/zinc/88/28/41/1072882841.db2.gz BYNBAMBVHABYDY-KRWDZBQOSA-N 1 0 426.587 0.474 20 0 ICADRO CS(=O)(=O)N1CCCN(c2nnc(C3CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001555810025 1072883278 /nfs/dbraw/zinc/88/32/78/1072883278.db2.gz BYNBAMBVHABYDY-QGZVFWFLSA-N 1 0 426.587 0.474 20 0 ICADRO CS(=O)(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001555810276 1072883461 /nfs/dbraw/zinc/88/34/61/1072883461.db2.gz BTODEOSMTGHBGA-UHFFFAOYSA-N 1 0 449.581 0.534 20 0 ICADRO CS(=O)(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001555810304 1072883216 /nfs/dbraw/zinc/88/32/16/1072883216.db2.gz CJMMYXOBBSSZHP-KRWDZBQOSA-N 1 0 426.587 0.474 20 0 ICADRO CS(=O)(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001555810306 1072883478 /nfs/dbraw/zinc/88/34/78/1072883478.db2.gz CJMMYXOBBSSZHP-QGZVFWFLSA-N 1 0 426.587 0.474 20 0 ICADRO CS(=O)(=O)N1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001555810518 1072884345 /nfs/dbraw/zinc/88/43/45/1072884345.db2.gz KXVXWWBMKUYUKL-UHFFFAOYSA-N 1 0 445.593 0.998 20 0 ICADRO CS(=O)(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001555811150 1072885050 /nfs/dbraw/zinc/88/50/50/1072885050.db2.gz VBOPPXKATOGGLC-UHFFFAOYSA-N 1 0 437.570 0.202 20 0 ICADRO CS(=O)(=O)N1CCN(c2nnc(CC3CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001555811925 1072885714 /nfs/dbraw/zinc/88/57/14/1072885714.db2.gz SOIRELCVKFWZPN-GOSISDBHSA-N 1 0 440.614 0.549 20 0 ICADRO CS(=O)(=O)N1CCN(c2nnc(CC3CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001555811926 1072885656 /nfs/dbraw/zinc/88/56/56/1072885656.db2.gz SOIRELCVKFWZPN-SFHVURJKSA-N 1 0 440.614 0.549 20 0 ICADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCOCC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001555812555 1072886782 /nfs/dbraw/zinc/88/67/82/1072886782.db2.gz GMVAZWYDBHAENQ-KRWDZBQOSA-N 1 0 440.570 0.100 20 0 ICADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCOCC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001555812556 1072886714 /nfs/dbraw/zinc/88/67/14/1072886714.db2.gz GMVAZWYDBHAENQ-QGZVFWFLSA-N 1 0 440.570 0.100 20 0 ICADRO CS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCSCC2)CC1 ZINC001555812652 1072886671 /nfs/dbraw/zinc/88/66/71/1072886671.db2.gz GIOWTAKGBIDPQX-UHFFFAOYSA-N 1 0 439.611 0.840 20 0 ICADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCOCC3)n2CCC[NH+]2CCCC2)C1 ZINC001555813073 1072887615 /nfs/dbraw/zinc/88/76/15/1072887615.db2.gz KITQBQINDCSVGE-KRWDZBQOSA-N 1 0 442.586 0.324 20 0 ICADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCOCC3)n2CCC[NH+]2CCCC2)C1 ZINC001555813074 1072887668 /nfs/dbraw/zinc/88/76/68/1072887668.db2.gz KITQBQINDCSVGE-QGZVFWFLSA-N 1 0 442.586 0.324 20 0 ICADRO CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCCC2)C1 ZINC001555814697 1072889769 /nfs/dbraw/zinc/88/97/69/1072889769.db2.gz JJUUWTAAPSKOLV-DLBZAZTESA-N 1 0 426.587 0.991 20 0 ICADRO CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCCC2)C1 ZINC001555814699 1072889884 /nfs/dbraw/zinc/88/98/84/1072889884.db2.gz JJUUWTAAPSKOLV-IAGOWNOFSA-N 1 0 426.587 0.991 20 0 ICADRO CS(=O)(=O)NCC1CCN(c2nnc(C3CC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001555814821 1072889899 /nfs/dbraw/zinc/88/98/99/1072889899.db2.gz MMXADXMRBVMBJD-UHFFFAOYSA-N 1 0 440.614 0.768 20 0 ICADRO CS(=O)(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001555815337 1072890363 /nfs/dbraw/zinc/89/03/63/1072890363.db2.gz XGMIEZBIESNFEX-UHFFFAOYSA-N 1 0 434.570 0.597 20 0 ICADRO CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CC[NH+]2CCSCC2)C1 ZINC001555815634 1072890777 /nfs/dbraw/zinc/89/07/77/1072890777.db2.gz OXBYECWYEOKXQM-HNNXBMFYSA-N 1 0 428.628 0.970 20 0 ICADRO CS(=O)(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CC[NH+]2CCSCC2)C1 ZINC001555815635 1072890905 /nfs/dbraw/zinc/89/09/05/1072890905.db2.gz OXBYECWYEOKXQM-OAHLLOKOSA-N 1 0 428.628 0.970 20 0 ICADRO CS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001555815786 1072891393 /nfs/dbraw/zinc/89/13/93/1072891393.db2.gz RXRDBIZEMCUFCM-UHFFFAOYSA-N 1 0 440.614 0.861 20 0 ICADRO CS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2CC[NH+]2CCSCC2)CC1 ZINC001555815868 1072891173 /nfs/dbraw/zinc/89/11/73/1072891173.db2.gz UBISCHRVHFHFGO-UHFFFAOYSA-N 1 0 428.628 0.797 20 0 ICADRO CS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001555816612 1072891739 /nfs/dbraw/zinc/89/17/39/1072891739.db2.gz BEUJWMAOHGGTBO-UHFFFAOYSA-N 1 0 433.582 0.878 20 0 ICADRO CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001555817025 1072892206 /nfs/dbraw/zinc/89/22/06/1072892206.db2.gz IPMPDTSZCGBZJQ-GOSISDBHSA-N 1 0 433.582 0.878 20 0 ICADRO CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001555817026 1072892292 /nfs/dbraw/zinc/89/22/92/1072892292.db2.gz IPMPDTSZCGBZJQ-SFHVURJKSA-N 1 0 433.582 0.878 20 0 ICADRO CS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001555817128 1072892189 /nfs/dbraw/zinc/89/21/89/1072892189.db2.gz JLSYFEUIMYGKSB-KRWDZBQOSA-N 1 0 448.597 0.987 20 0 ICADRO CS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001555817129 1072892051 /nfs/dbraw/zinc/89/20/51/1072892051.db2.gz JLSYFEUIMYGKSB-QGZVFWFLSA-N 1 0 448.597 0.987 20 0 ICADRO CS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001555817295 1072892654 /nfs/dbraw/zinc/89/26/54/1072892654.db2.gz NTOVBAQNGABIAI-UHFFFAOYSA-N 1 0 433.582 0.735 20 0 ICADRO CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001555817894 1072893451 /nfs/dbraw/zinc/89/34/51/1072893451.db2.gz KZDJKUNFVMIHKD-INIZCTEOSA-N 1 0 439.586 0.128 20 0 ICADRO CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001555817895 1072893630 /nfs/dbraw/zinc/89/36/30/1072893630.db2.gz KZDJKUNFVMIHKD-MRXNPFEDSA-N 1 0 439.586 0.128 20 0 ICADRO CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555817902 1072893495 /nfs/dbraw/zinc/89/34/95/1072893495.db2.gz LILQYCSQOWWYQD-QGZVFWFLSA-N 1 0 442.586 0.370 20 0 ICADRO CS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001555817930 1072893556 /nfs/dbraw/zinc/89/35/56/1072893556.db2.gz XVZDLAYOAJGPEO-DLBZAZTESA-N 1 0 426.587 0.786 20 0 ICADRO CS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001555817931 1072893426 /nfs/dbraw/zinc/89/34/26/1072893426.db2.gz XVZDLAYOAJGPEO-IAGOWNOFSA-N 1 0 426.587 0.786 20 0 ICADRO CS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001555817932 1072893465 /nfs/dbraw/zinc/89/34/65/1072893465.db2.gz XVZDLAYOAJGPEO-IRXDYDNUSA-N 1 0 426.587 0.786 20 0 ICADRO CS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001555817933 1072894045 /nfs/dbraw/zinc/89/40/45/1072894045.db2.gz XVZDLAYOAJGPEO-SJORKVTESA-N 1 0 426.587 0.786 20 0 ICADRO CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001555818453 1072894135 /nfs/dbraw/zinc/89/41/35/1072894135.db2.gz ABSUIVCKVGFZEL-INIZCTEOSA-N 1 0 426.587 0.786 20 0 ICADRO CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001555818454 1072894512 /nfs/dbraw/zinc/89/45/12/1072894512.db2.gz ABSUIVCKVGFZEL-MRXNPFEDSA-N 1 0 426.587 0.786 20 0 ICADRO CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001555819012 1072895379 /nfs/dbraw/zinc/89/53/79/1072895379.db2.gz IWJYWZYROBMEJP-UHFFFAOYSA-N 1 0 426.587 0.328 20 0 ICADRO CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001555819138 1072895408 /nfs/dbraw/zinc/89/54/08/1072895408.db2.gz KZFNBWQBKPVQFF-GOSISDBHSA-N 1 0 433.582 0.878 20 0 ICADRO CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001555819140 1072895345 /nfs/dbraw/zinc/89/53/45/1072895345.db2.gz KZFNBWQBKPVQFF-SFHVURJKSA-N 1 0 433.582 0.878 20 0 ICADRO CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001555820148 1072896909 /nfs/dbraw/zinc/89/69/09/1072896909.db2.gz YJMMFIDOQBTFQX-UHFFFAOYSA-N 1 0 437.570 0.371 20 0 ICADRO CSC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)CC2)CC[NH+](C)CC1 ZINC001555856496 1072899120 /nfs/dbraw/zinc/89/91/20/1072899120.db2.gz YWLWMCWMSDCVTR-UHFFFAOYSA-N 1 0 440.639 0.910 20 0 ICADRO CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC[NH+](C)CC1 ZINC001555858881 1072899617 /nfs/dbraw/zinc/89/96/17/1072899617.db2.gz MFVPFMBOLKBVLY-AWEZNQCLSA-N 1 0 432.616 0.552 20 0 ICADRO CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC[NH+](C)CC1 ZINC001555858882 1072899557 /nfs/dbraw/zinc/89/95/57/1072899557.db2.gz MFVPFMBOLKBVLY-CQSZACIVSA-N 1 0 432.616 0.552 20 0 ICADRO CSC1(Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)CC[NH+](C)CC1 ZINC001555863397 1072899430 /nfs/dbraw/zinc/89/94/30/1072899430.db2.gz ZAHWZTCAVYPINQ-UHFFFAOYSA-N 1 0 441.627 0.987 20 0 ICADRO CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC[NH+](C)CC1 ZINC001555863688 1072899492 /nfs/dbraw/zinc/89/94/92/1072899492.db2.gz KQYSQZGURNFKMJ-CABCVRRESA-N 1 0 435.598 0.758 20 0 ICADRO CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC[NH+](C)CC1 ZINC001555863689 1072900019 /nfs/dbraw/zinc/90/00/19/1072900019.db2.gz KQYSQZGURNFKMJ-GJZGRUSLSA-N 1 0 435.598 0.758 20 0 ICADRO CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC[NH+](C)CC1 ZINC001555863690 1072900009 /nfs/dbraw/zinc/90/00/09/1072900009.db2.gz KQYSQZGURNFKMJ-HUUCEWRRSA-N 1 0 435.598 0.758 20 0 ICADRO CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC[NH+](C)CC1 ZINC001555863691 1072900073 /nfs/dbraw/zinc/90/00/73/1072900073.db2.gz KQYSQZGURNFKMJ-LSDHHAIUSA-N 1 0 435.598 0.758 20 0 ICADRO CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)CC2)CC[NH+](C)CC1 ZINC001555863757 1072900099 /nfs/dbraw/zinc/90/00/99/1072900099.db2.gz LXEZOPIJUAYRBE-AWEZNQCLSA-N 1 0 426.612 0.625 20 0 ICADRO CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)CC2)CC[NH+](C)CC1 ZINC001555863758 1072900037 /nfs/dbraw/zinc/90/00/37/1072900037.db2.gz LXEZOPIJUAYRBE-CQSZACIVSA-N 1 0 426.612 0.625 20 0 ICADRO CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC[NH+](C)CC1 ZINC001555864150 1072900006 /nfs/dbraw/zinc/90/00/06/1072900006.db2.gz RFSSZHOWVWCADM-CABCVRRESA-N 1 0 435.598 0.724 20 0 ICADRO CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC[NH+](C)CC1 ZINC001555864151 1072900081 /nfs/dbraw/zinc/90/00/81/1072900081.db2.gz RFSSZHOWVWCADM-GJZGRUSLSA-N 1 0 435.598 0.724 20 0 ICADRO CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC[NH+](C)CC1 ZINC001555864152 1072900095 /nfs/dbraw/zinc/90/00/95/1072900095.db2.gz RFSSZHOWVWCADM-HUUCEWRRSA-N 1 0 435.598 0.724 20 0 ICADRO CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC[NH+](C)CC1 ZINC001555864153 1072900044 /nfs/dbraw/zinc/90/00/44/1072900044.db2.gz RFSSZHOWVWCADM-LSDHHAIUSA-N 1 0 435.598 0.724 20 0 ICADRO CSC1(Cn2c([C@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)CC[NH+](C)CC1 ZINC001555865115 1072900340 /nfs/dbraw/zinc/90/03/40/1072900340.db2.gz UUOIFVGSMHTVCV-HNNXBMFYSA-N 1 0 446.643 0.595 20 0 ICADRO CSC1(Cn2c([C@@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)CC[NH+](C)CC1 ZINC001555865116 1072900292 /nfs/dbraw/zinc/90/02/92/1072900292.db2.gz UUOIFVGSMHTVCV-OAHLLOKOSA-N 1 0 446.643 0.595 20 0 ICADRO CSC1(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)CC2)CC[NH+](C)CC1 ZINC001555869113 1072900318 /nfs/dbraw/zinc/90/03/18/1072900318.db2.gz LECYDWPLMAMLLB-UHFFFAOYSA-N 1 0 440.639 0.797 20 0 ICADRO CSC1(Cn2c([C@H]3CCCO3)nnc2N(C)CCNS(C)(=O)=O)CC[NH+](C)CC1 ZINC001555870039 1072900354 /nfs/dbraw/zinc/90/03/54/1072900354.db2.gz JKQMFDDRUPMWFV-OAHLLOKOSA-N 1 0 446.643 0.942 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+](C)C ZINC001555897165 1072900792 /nfs/dbraw/zinc/90/07/92/1072900792.db2.gz LNNBQFUIMBDPPA-HRCADAONSA-N 1 0 446.643 0.893 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+](C)C ZINC001555897166 1072900783 /nfs/dbraw/zinc/90/07/83/1072900783.db2.gz LNNBQFUIMBDPPA-JYJNAYRXSA-N 1 0 446.643 0.893 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](C)C ZINC001555897167 1072900776 /nfs/dbraw/zinc/90/07/76/1072900776.db2.gz LNNBQFUIMBDPPA-OWCLPIDISA-N 1 0 446.643 0.893 20 0 ICADRO CSC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](C)C ZINC001555897168 1072900805 /nfs/dbraw/zinc/90/08/05/1072900805.db2.gz LNNBQFUIMBDPPA-PMPSAXMXSA-N 1 0 446.643 0.893 20 0 ICADRO CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555934593 1072902048 /nfs/dbraw/zinc/90/20/48/1072902048.db2.gz KDPBRGCOSLHGGH-CVEARBPZSA-N 1 0 435.598 0.725 20 0 ICADRO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555934594 1072902010 /nfs/dbraw/zinc/90/20/10/1072902010.db2.gz KDPBRGCOSLHGGH-HOTGVXAUSA-N 1 0 435.598 0.725 20 0 ICADRO CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555934595 1072902346 /nfs/dbraw/zinc/90/23/46/1072902346.db2.gz KDPBRGCOSLHGGH-HZPDHXFCSA-N 1 0 435.598 0.725 20 0 ICADRO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555934596 1072902408 /nfs/dbraw/zinc/90/24/08/1072902408.db2.gz KDPBRGCOSLHGGH-JKSUJKDBSA-N 1 0 435.598 0.725 20 0 ICADRO CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001555937552 1072902517 /nfs/dbraw/zinc/90/25/17/1072902517.db2.gz YLZYCKIRNOVELT-UHFFFAOYSA-N 1 0 449.625 0.898 20 0 ICADRO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1O ZINC001555942936 1072903501 /nfs/dbraw/zinc/90/35/01/1072903501.db2.gz YDEPIIHJGVLZOO-BDXSIMOUSA-N 1 0 441.598 0.234 20 0 ICADRO C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1O ZINC001555942937 1072903441 /nfs/dbraw/zinc/90/34/41/1072903441.db2.gz YDEPIIHJGVLZOO-OWSLCNJRSA-N 1 0 441.598 0.234 20 0 ICADRO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1O ZINC001555942938 1072903475 /nfs/dbraw/zinc/90/34/75/1072903475.db2.gz YDEPIIHJGVLZOO-TVFCKZIOSA-N 1 0 441.598 0.234 20 0 ICADRO C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1O ZINC001555942939 1072903396 /nfs/dbraw/zinc/90/33/96/1072903396.db2.gz YDEPIIHJGVLZOO-XDNAFOTISA-N 1 0 441.598 0.234 20 0 ICADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C ZINC001555950478 1072903922 /nfs/dbraw/zinc/90/39/22/1072903922.db2.gz IEVVPFFUEZPUFB-QGZVFWFLSA-N 1 0 447.584 0.682 20 0 ICADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC2CC2)n1CCCNS(C)(=O)=O ZINC001555950563 1072904054 /nfs/dbraw/zinc/90/40/54/1072904054.db2.gz KSDTVFLLXSQGDU-MRXNPFEDSA-N 1 0 440.614 0.859 20 0 ICADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C2CCC2)n1CCNS(C)(=O)=O ZINC001555950691 1072903965 /nfs/dbraw/zinc/90/39/65/1072903965.db2.gz QXXKLWNMZFBEJK-OAHLLOKOSA-N 1 0 426.587 0.784 20 0 ICADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cnccn2)n1CCOCCCO ZINC001555951079 1072904000 /nfs/dbraw/zinc/90/40/00/1072904000.db2.gz SMVOIBNPDARWIB-QGZVFWFLSA-N 1 0 431.541 0.824 20 0 ICADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C2CC2)n1CCOCCS(C)(=O)=O ZINC001555951141 1072903954 /nfs/dbraw/zinc/90/39/54/1072903954.db2.gz VYWDWEADFBJGFK-MRXNPFEDSA-N 1 0 441.598 0.906 20 0 ICADRO C[C@H]1CN(c2nnc(-c3ccccc3)n2CCOCC[NH+](C)C)CCN1S(C)(=O)=O ZINC001555954513 1072904447 /nfs/dbraw/zinc/90/44/47/1072904447.db2.gz PWVOEKSEVOGQKZ-KRWDZBQOSA-N 1 0 436.582 0.993 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C2CC2)[NH+](C)C)CCN1S(C)(=O)=O ZINC001555955520 1072904909 /nfs/dbraw/zinc/90/49/09/1072904909.db2.gz NMJQIUPDKWNAQW-WMLDXEAASA-N 1 0 434.570 0.545 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)[NH+](C)C)CCN1S(C)(=O)=O ZINC001555955521 1072904827 /nfs/dbraw/zinc/90/48/27/1072904827.db2.gz NMJQIUPDKWNAQW-YOEHRIQHSA-N 1 0 434.570 0.545 20 0 ICADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCCC2)CCN1S(C)(=O)=O ZINC001555955711 1072904867 /nfs/dbraw/zinc/90/48/67/1072904867.db2.gz YVZFHQLDEJGPIV-INIZCTEOSA-N 1 0 436.586 0.635 20 0 ICADRO C[C@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1S(C)(=O)=O ZINC001555956638 1072904797 /nfs/dbraw/zinc/90/47/97/1072904797.db2.gz OZFWRUZOSCHCTL-INIZCTEOSA-N 1 0 439.630 0.652 20 0 ICADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cnccn2)n1CCOCCCO ZINC001555959733 1072906114 /nfs/dbraw/zinc/90/61/14/1072906114.db2.gz SMVOIBNPDARWIB-KRWDZBQOSA-N 1 0 431.541 0.824 20 0 ICADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001555960142 1072906678 /nfs/dbraw/zinc/90/66/78/1072906678.db2.gz OKDRILIOQDKLCS-JZXOWHBKSA-N 1 0 447.584 0.643 20 0 ICADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001555960143 1072906581 /nfs/dbraw/zinc/90/65/81/1072906581.db2.gz OKDRILIOQDKLCS-SOLBZPMBSA-N 1 0 447.584 0.643 20 0 ICADRO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001555999014 1072910259 /nfs/dbraw/zinc/91/02/59/1072910259.db2.gz IDVMFZNMUUJXNO-KRWDZBQOSA-N 1 0 427.553 0.812 20 0 ICADRO NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001555999015 1072910198 /nfs/dbraw/zinc/91/01/98/1072910198.db2.gz IDVMFZNMUUJXNO-QGZVFWFLSA-N 1 0 427.553 0.812 20 0 ICADRO NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001556000467 1072911141 /nfs/dbraw/zinc/91/11/41/1072911141.db2.gz YNTKGJUOMFYRIG-MOPGFXCFSA-N 1 0 427.553 0.812 20 0 ICADRO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001556000468 1072911117 /nfs/dbraw/zinc/91/11/17/1072911117.db2.gz YNTKGJUOMFYRIG-OALUTQOASA-N 1 0 427.553 0.812 20 0 ICADRO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001556000469 1072911170 /nfs/dbraw/zinc/91/11/70/1072911170.db2.gz YNTKGJUOMFYRIG-RBUKOAKNSA-N 1 0 427.553 0.812 20 0 ICADRO NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001556000470 1072911161 /nfs/dbraw/zinc/91/11/61/1072911161.db2.gz YNTKGJUOMFYRIG-RTBURBONSA-N 1 0 427.553 0.812 20 0 ICADRO NC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001556001889 1072911950 /nfs/dbraw/zinc/91/19/50/1072911950.db2.gz MIGWWJRMBJIPAD-UHFFFAOYSA-N 1 0 427.553 0.812 20 0 ICADRO 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ICADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)CC2=O)cn1 ZINC001556137184 1072931408 /nfs/dbraw/zinc/93/14/08/1072931408.db2.gz HUEFLQLMCINLCD-IBGZPJMESA-N 1 0 446.596 0.759 20 0 ICADRO COCCn1cc(N2C[C@H](C(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)CC2=O)cn1 ZINC001556137185 1072931332 /nfs/dbraw/zinc/93/13/32/1072931332.db2.gz HUEFLQLMCINLCD-LJQANCHMSA-N 1 0 446.596 0.759 20 0 ICADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc4c(s3)n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC001556137239 1072931325 /nfs/dbraw/zinc/93/13/25/1072931325.db2.gz KGBUGBUXLLPWRR-UHFFFAOYSA-N 1 0 433.578 0.788 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2nnnc2-c2ccccc2)c1 ZINC001556146746 1072931739 /nfs/dbraw/zinc/93/17/39/1072931739.db2.gz BPZACCSQLLVMNG-UHFFFAOYSA-N 1 0 429.506 0.819 20 0 ICADRO Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001556146869 1072931788 /nfs/dbraw/zinc/93/17/88/1072931788.db2.gz HBHMDHDNLVPEHX-UHFFFAOYSA-N 1 0 441.535 0.281 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)c1 ZINC001556146917 1072931826 /nfs/dbraw/zinc/93/18/26/1072931826.db2.gz IWYVZFGAYVAPLH-UHFFFAOYSA-N 1 0 446.595 0.527 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2N)c1 ZINC001556147127 1072931782 /nfs/dbraw/zinc/93/17/82/1072931782.db2.gz OMSMIHRQLUOCHY-UHFFFAOYSA-N 1 0 440.547 0.765 20 0 ICADRO Cn1cc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)CC2=O)cn1 ZINC001556147162 1072931767 /nfs/dbraw/zinc/93/17/67/1072931767.db2.gz PVINOEYMWKALSZ-AWEZNQCLSA-N 1 0 434.522 0.252 20 0 ICADRO Cn1cc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)CC2=O)cn1 ZINC001556147163 1072931807 /nfs/dbraw/zinc/93/18/07/1072931807.db2.gz PVINOEYMWKALSZ-CQSZACIVSA-N 1 0 434.522 0.252 20 0 ICADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)C1 ZINC001556147192 1072931758 /nfs/dbraw/zinc/93/17/58/1072931758.db2.gz QJNXEGKHHXSMDR-GOEBONIOSA-N 1 0 427.523 0.823 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)c1 ZINC001556147211 1072932101 /nfs/dbraw/zinc/93/21/01/1072932101.db2.gz QWMHBOBIVOBTQS-NRFANRHFSA-N 1 0 430.530 0.923 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)c1 ZINC001556147212 1072932130 /nfs/dbraw/zinc/93/21/30/1072932130.db2.gz QWMHBOBIVOBTQS-OAQYLSRUSA-N 1 0 430.530 0.923 20 0 ICADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 ZINC001556152620 1072932642 /nfs/dbraw/zinc/93/26/42/1072932642.db2.gz UCYXBVVDQFFSPV-UHFFFAOYSA-N 1 0 436.538 0.211 20 0 ICADRO CNC(=O)[C@@H]1CN(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCO1 ZINC001556153489 1072932552 /nfs/dbraw/zinc/93/25/52/1072932552.db2.gz ZGQPSXZKVFOEAL-MSOLQXFVSA-N 1 0 434.537 0.985 20 0 ICADRO CNC(=O)[C@H]1CN(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCO1 ZINC001556153490 1072932581 /nfs/dbraw/zinc/93/25/81/1072932581.db2.gz ZGQPSXZKVFOEAL-QZTJIDSGSA-N 1 0 434.537 0.985 20 0 ICADRO 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C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001556221788 1072937626 /nfs/dbraw/zinc/93/76/26/1072937626.db2.gz LNLRSYJIOMYSLN-LBPRGKRZSA-N 1 0 446.957 0.021 20 0 ICADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(I)cc1-n1cnnn1 ZINC001556266233 1072938902 /nfs/dbraw/zinc/93/89/02/1072938902.db2.gz BFIIKKMCDDQRNY-UHFFFAOYSA-N 1 0 442.261 0.719 20 0 ICADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001556274685 1072939904 /nfs/dbraw/zinc/93/99/04/1072939904.db2.gz SQOKSGYXXPHFFQ-CVEARBPZSA-N 1 0 434.603 0.457 20 0 ICADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001556274686 1072939880 /nfs/dbraw/zinc/93/98/80/1072939880.db2.gz SQOKSGYXXPHFFQ-HOTGVXAUSA-N 1 0 434.603 0.457 20 0 ICADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556274857 1072939823 /nfs/dbraw/zinc/93/98/23/1072939823.db2.gz XIAOGWWFYJSFOX-DLBZAZTESA-N 1 0 446.614 0.553 20 0 ICADRO 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C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC001556299077 1072940801 /nfs/dbraw/zinc/94/08/01/1072940801.db2.gz DTBJEHWXZNOXHL-LISAXSMJSA-N 1 0 444.623 0.451 20 0 ICADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC001556299078 1072940831 /nfs/dbraw/zinc/94/08/31/1072940831.db2.gz DTBJEHWXZNOXHL-XLMAVXFVSA-N 1 0 444.623 0.451 20 0 ICADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)CC1 ZINC001556299279 1072940784 /nfs/dbraw/zinc/94/07/84/1072940784.db2.gz JOIWAYWDTDNJSR-HDICACEKSA-N 1 0 437.585 0.741 20 0 ICADRO C[N@@H+]1CCN(CCNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1(C)C ZINC001556353286 1072944632 /nfs/dbraw/zinc/94/46/32/1072944632.db2.gz RGVKGLNBZZEYSZ-UHFFFAOYSA-N 1 0 431.599 0.665 20 0 ICADRO Cn1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001556353362 1072944648 /nfs/dbraw/zinc/94/46/48/1072944648.db2.gz TZNJJTRTBCOKDC-UHFFFAOYSA-N 1 0 438.532 0.972 20 0 ICADRO 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O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001556367701 1072948147 /nfs/dbraw/zinc/94/81/47/1072948147.db2.gz QTGYJPVXNSPVNT-QAPCUYQASA-N 1 0 445.969 0.550 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1c(Br)nc2n1CCC2 ZINC001556372325 1072948151 /nfs/dbraw/zinc/94/81/51/1072948151.db2.gz AVLLIYHVZLWALM-UHFFFAOYSA-N 1 0 428.331 0.454 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC(=O)Nc1c(F)cccc1F ZINC001556372519 1072948125 /nfs/dbraw/zinc/94/81/25/1072948125.db2.gz GODZBBCUPQRJRE-UHFFFAOYSA-N 1 0 426.464 0.933 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC001556372627 1072948138 /nfs/dbraw/zinc/94/81/38/1072948138.db2.gz JVARIFPFBZIHAY-UHFFFAOYSA-N 1 0 432.930 0.001 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)F ZINC001556372738 1072948667 /nfs/dbraw/zinc/94/86/67/1072948667.db2.gz MKFVGNBPYPFREN-UKRRQHHQSA-N 1 0 428.484 0.756 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cc(N)c1N ZINC001556372756 1072948688 /nfs/dbraw/zinc/94/86/88/1072948688.db2.gz MVBVNHVQZNTIFX-UHFFFAOYSA-N 1 0 428.331 0.476 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCNC(=O)NC1CCCCC1 ZINC001556372764 1072948681 /nfs/dbraw/zinc/94/86/81/1072948681.db2.gz NBDNWDJRVLQHSI-UHFFFAOYSA-N 1 0 425.574 0.648 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001556373183 1072948619 /nfs/dbraw/zinc/94/86/19/1072948619.db2.gz ZZPUQVTZUJRAOZ-SCTDSRPQSA-N 1 0 438.569 0.738 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001556373184 1072948605 /nfs/dbraw/zinc/94/86/05/1072948605.db2.gz ZZPUQVTZUJRAOZ-YQVWRLOYSA-N 1 0 438.569 0.738 20 0 ICADRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC001556385794 1072949104 /nfs/dbraw/zinc/94/91/04/1072949104.db2.gz YBCHUNQWPGPLCU-UHFFFAOYSA-N 1 0 430.958 0.955 20 0 ICADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001556402037 1072949959 /nfs/dbraw/zinc/94/99/59/1072949959.db2.gz DISXYLVADSNRQF-INIZCTEOSA-N 1 0 431.530 0.669 20 0 ICADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001556402038 1072949922 /nfs/dbraw/zinc/94/99/22/1072949922.db2.gz DISXYLVADSNRQF-MRXNPFEDSA-N 1 0 431.530 0.669 20 0 ICADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001556402263 1072949903 /nfs/dbraw/zinc/94/99/03/1072949903.db2.gz KEMLAOIEOKCTEA-JZXOWHBKSA-N 1 0 431.530 0.159 20 0 ICADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001556402264 1072949890 /nfs/dbraw/zinc/94/98/90/1072949890.db2.gz KEMLAOIEOKCTEA-NUJGCVRESA-N 1 0 431.530 0.159 20 0 ICADRO C[NH+]1CCN(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2)CC1 ZINC001556426832 1072951392 /nfs/dbraw/zinc/95/13/92/1072951392.db2.gz CRNKDFGJKKGAHW-UHFFFAOYSA-N 1 0 442.532 0.824 20 0 ICADRO Cc1cc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001556426929 1072951347 /nfs/dbraw/zinc/95/13/47/1072951347.db2.gz HGNLPLWCNVPSTG-UHFFFAOYSA-N 1 0 445.589 0.872 20 0 ICADRO C[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001556426940 1072951325 /nfs/dbraw/zinc/95/13/25/1072951325.db2.gz HUPWNDGCTSEWFG-GFCCVEGCSA-N 1 0 435.322 0.892 20 0 ICADRO C[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001556426941 1072951414 /nfs/dbraw/zinc/95/14/14/1072951414.db2.gz HUPWNDGCTSEWFG-LBPRGKRZSA-N 1 0 435.322 0.892 20 0 ICADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1OC ZINC001556427126 1072951408 /nfs/dbraw/zinc/95/14/08/1072951408.db2.gz QDROAFHQPCJFGK-UHFFFAOYSA-N 1 0 439.534 0.502 20 0 ICADRO Cn1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001556459779 1072953610 /nfs/dbraw/zinc/95/36/10/1072953610.db2.gz CJVAUASMYTVUPA-JOCHJYFZSA-N 1 0 425.489 0.745 20 0 ICADRO Cn1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001556459780 1072953542 /nfs/dbraw/zinc/95/35/42/1072953542.db2.gz CJVAUASMYTVUPA-QFIPXVFZSA-N 1 0 425.489 0.745 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001556459893 1072953622 /nfs/dbraw/zinc/95/36/22/1072953622.db2.gz GEKSVIFBKRIQBT-BEFAXECRSA-N 1 0 433.571 0.326 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001556459894 1072953648 /nfs/dbraw/zinc/95/36/48/1072953648.db2.gz GEKSVIFBKRIQBT-DNVCBOLYSA-N 1 0 433.571 0.326 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001556459895 1072954002 /nfs/dbraw/zinc/95/40/02/1072954002.db2.gz GEKSVIFBKRIQBT-HNAYVOBHSA-N 1 0 433.571 0.326 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001556459896 1072954049 /nfs/dbraw/zinc/95/40/49/1072954049.db2.gz GEKSVIFBKRIQBT-KXBFYZLASA-N 1 0 433.571 0.326 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 ZINC001556460012 1072954070 /nfs/dbraw/zinc/95/40/70/1072954070.db2.gz JCWFXPTVIOBYIF-CDHQVMDDSA-N 1 0 445.582 0.183 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 ZINC001556460013 1072954126 /nfs/dbraw/zinc/95/41/26/1072954126.db2.gz JCWFXPTVIOBYIF-UIAACRFSSA-N 1 0 445.582 0.183 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001556460632 1072954023 /nfs/dbraw/zinc/95/40/23/1072954023.db2.gz YFXBMMPIPCMKEZ-FQEVSTJZSA-N 1 0 425.551 0.361 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001556460633 1072954138 /nfs/dbraw/zinc/95/41/38/1072954138.db2.gz YFXBMMPIPCMKEZ-HXUWFJFHSA-N 1 0 425.551 0.361 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001556460654 1072954111 /nfs/dbraw/zinc/95/41/11/1072954111.db2.gz YTEYWFRVWWZGHB-INIZCTEOSA-N 1 0 434.356 0.643 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001556460655 1072953979 /nfs/dbraw/zinc/95/39/79/1072953979.db2.gz YTEYWFRVWWZGHB-MRXNPFEDSA-N 1 0 434.356 0.643 20 0 ICADRO Cc1nc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c(C(=O)NCCO)n1C ZINC001556495390 1072955743 /nfs/dbraw/zinc/95/57/43/1072955743.db2.gz DEMYVUCYZZZALK-CYBMUJFWSA-N 1 0 426.518 0.234 20 0 ICADRO Cc1nc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c(C(=O)NCCO)n1C ZINC001556495391 1072955721 /nfs/dbraw/zinc/95/57/21/1072955721.db2.gz DEMYVUCYZZZALK-ZDUSSCGKSA-N 1 0 426.518 0.234 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001556499999 1072956238 /nfs/dbraw/zinc/95/62/38/1072956238.db2.gz TYTDYJRUSMVLBN-CYBMUJFWSA-N 1 0 428.942 0.850 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001556500000 1072956202 /nfs/dbraw/zinc/95/62/02/1072956202.db2.gz TYTDYJRUSMVLBN-ZDUSSCGKSA-N 1 0 428.942 0.850 20 0 ICADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC001556500593 1072956228 /nfs/dbraw/zinc/95/62/28/1072956228.db2.gz MJEBAKDXTVUNHH-UHFFFAOYSA-N 1 0 431.647 0.914 20 0 ICADRO COc1cc2ncn(CCCC(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502017 1072956161 /nfs/dbraw/zinc/95/61/61/1072956161.db2.gz CHVGFVHUWIWQLL-CVEARBPZSA-N 1 0 430.505 0.861 20 0 ICADRO COc1cc2ncn(CCCC(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502018 1072956249 /nfs/dbraw/zinc/95/62/49/1072956249.db2.gz CHVGFVHUWIWQLL-HOTGVXAUSA-N 1 0 430.505 0.861 20 0 ICADRO COc1cc2ncn(CCCC(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502019 1072956192 /nfs/dbraw/zinc/95/61/92/1072956192.db2.gz CHVGFVHUWIWQLL-HZPDHXFCSA-N 1 0 430.505 0.861 20 0 ICADRO COc1cc2ncn(CCCC(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502020 1072956709 /nfs/dbraw/zinc/95/67/09/1072956709.db2.gz CHVGFVHUWIWQLL-JKSUJKDBSA-N 1 0 430.505 0.861 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001556503024 1072956737 /nfs/dbraw/zinc/95/67/37/1072956737.db2.gz HNCDZUSMCQKURG-FWXGHANASA-N 1 0 429.439 0.640 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001556503025 1072956669 /nfs/dbraw/zinc/95/66/69/1072956669.db2.gz HNCDZUSMCQKURG-GWNLFYIMSA-N 1 0 429.439 0.640 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001556503026 1072956608 /nfs/dbraw/zinc/95/66/08/1072956608.db2.gz HNCDZUSMCQKURG-TWHJKIGZSA-N 1 0 429.439 0.640 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001556503027 1072956677 /nfs/dbraw/zinc/95/66/77/1072956677.db2.gz HNCDZUSMCQKURG-XMEMRUQMSA-N 1 0 429.439 0.640 20 0 ICADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)CC2)c1 ZINC001556503078 1072956751 /nfs/dbraw/zinc/95/67/51/1072956751.db2.gz JEGLPIDGCQWWBE-PMACEKPBSA-N 1 0 449.573 0.957 20 0 ICADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)CC2)c1 ZINC001556503079 1072956632 /nfs/dbraw/zinc/95/66/32/1072956632.db2.gz JEGLPIDGCQWWBE-UXHICEINSA-N 1 0 449.573 0.957 20 0 ICADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC001556503080 1072956552 /nfs/dbraw/zinc/95/65/52/1072956552.db2.gz JEGLPIDGCQWWBE-VQTJNVASSA-N 1 0 449.573 0.957 20 0 ICADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC001556503081 1072956726 /nfs/dbraw/zinc/95/67/26/1072956726.db2.gz JEGLPIDGCQWWBE-WOJBJXKFSA-N 1 0 449.573 0.957 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CCCC1 ZINC001556503144 1072956696 /nfs/dbraw/zinc/95/66/96/1072956696.db2.gz KQAYLWBWPOIFEM-CVEARBPZSA-N 1 0 426.539 0.550 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CCCC1 ZINC001556503145 1072956580 /nfs/dbraw/zinc/95/65/80/1072956580.db2.gz KQAYLWBWPOIFEM-HOTGVXAUSA-N 1 0 426.539 0.550 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CCCC1 ZINC001556503146 1072956647 /nfs/dbraw/zinc/95/66/47/1072956647.db2.gz KQAYLWBWPOIFEM-HZPDHXFCSA-N 1 0 426.539 0.550 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CCCC1 ZINC001556503147 1072956762 /nfs/dbraw/zinc/95/67/62/1072956762.db2.gz KQAYLWBWPOIFEM-JKSUJKDBSA-N 1 0 426.539 0.550 20 0 ICADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001556506882 1072957094 /nfs/dbraw/zinc/95/70/94/1072957094.db2.gz AGXYWJRDDFFNML-BLLLJJGKSA-N 1 0 428.942 0.802 20 0 ICADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001556506883 1072957116 /nfs/dbraw/zinc/95/71/16/1072957116.db2.gz AGXYWJRDDFFNML-LRDDRELGSA-N 1 0 428.942 0.802 20 0 ICADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001556506884 1072957125 /nfs/dbraw/zinc/95/71/25/1072957125.db2.gz AGXYWJRDDFFNML-MLGOLLRUSA-N 1 0 428.942 0.802 20 0 ICADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001556506885 1072957075 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VTWLVHRHQYIEJK-MJGOQNOKSA-N 1 0 443.541 0.256 20 0 ICADRO COc1cccc(C[C@H]2CN(C(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)CC[NH2+]2)c1 ZINC001557766738 1073082254 /nfs/dbraw/zinc/08/22/54/1073082254.db2.gz VOJHZZPUHFYQNL-AWEZNQCLSA-N 1 0 426.477 0.347 20 0 ICADRO COc1cccc(C[C@@H]2CN(C(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)CC[NH2+]2)c1 ZINC001557766740 1073082092 /nfs/dbraw/zinc/08/20/92/1073082092.db2.gz VOJHZZPUHFYQNL-CQSZACIVSA-N 1 0 426.477 0.347 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001557780301 1073083178 /nfs/dbraw/zinc/08/31/78/1073083178.db2.gz NBIFAYLQMNEWQM-INIZCTEOSA-N 1 0 441.554 0.016 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001557780303 1073082947 /nfs/dbraw/zinc/08/29/47/1073082947.db2.gz NBIFAYLQMNEWQM-MRXNPFEDSA-N 1 0 441.554 0.016 20 0 ICADRO COc1cccc(C[C@H]2CN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC[NH2+]2)c1 ZINC001557784687 1073083695 /nfs/dbraw/zinc/08/36/95/1073083695.db2.gz QESDPVCWEHMTRZ-HTAPYJJXSA-N 1 0 444.532 0.654 20 0 ICADRO COc1cccc(C[C@H]2CN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC[NH2+]2)c1 ZINC001557784688 1073083570 /nfs/dbraw/zinc/08/35/70/1073083570.db2.gz QESDPVCWEHMTRZ-JTSKRJEESA-N 1 0 444.532 0.654 20 0 ICADRO COc1cccc(C[C@@H]2CN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC[NH2+]2)c1 ZINC001557784689 1073083801 /nfs/dbraw/zinc/08/38/01/1073083801.db2.gz QESDPVCWEHMTRZ-VGOFRKELSA-N 1 0 444.532 0.654 20 0 ICADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC[NH2+]2)c1 ZINC001557784690 1073083753 /nfs/dbraw/zinc/08/37/53/1073083753.db2.gz QESDPVCWEHMTRZ-VGSWGCGISA-N 1 0 444.532 0.654 20 0 ICADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785117 1073083477 /nfs/dbraw/zinc/08/34/77/1073083477.db2.gz DOIHCFZFFMWRJG-KBXCAEBGSA-N 1 0 433.534 0.419 20 0 ICADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785120 1073083613 /nfs/dbraw/zinc/08/36/13/1073083613.db2.gz DOIHCFZFFMWRJG-KDOFPFPSSA-N 1 0 433.534 0.419 20 0 ICADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785123 1073083713 /nfs/dbraw/zinc/08/37/13/1073083713.db2.gz DOIHCFZFFMWRJG-KSSFIOAISA-N 1 0 433.534 0.419 20 0 ICADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785125 1073083514 /nfs/dbraw/zinc/08/35/14/1073083514.db2.gz DOIHCFZFFMWRJG-RDTXWAMCSA-N 1 0 433.534 0.419 20 0 ICADRO NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC001557815652 1073086887 /nfs/dbraw/zinc/08/68/87/1073086887.db2.gz APYHZGKXJKUXSU-QMMMGPOBSA-N 1 0 426.720 0.546 20 0 ICADRO CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557815939 1073086796 /nfs/dbraw/zinc/08/67/96/1073086796.db2.gz DDRLSHITKSKXSF-JENIJYKNSA-N 1 0 425.551 0.117 20 0 ICADRO CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557815943 1073086958 /nfs/dbraw/zinc/08/69/58/1073086958.db2.gz DDRLSHITKSKXSF-LNLFQRSKSA-N 1 0 425.551 0.117 20 0 ICADRO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557815948 1073086670 /nfs/dbraw/zinc/08/66/70/1073086670.db2.gz DDRLSHITKSKXSF-SCTDSRPQSA-N 1 0 425.551 0.117 20 0 ICADRO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557815951 1073087305 /nfs/dbraw/zinc/08/73/05/1073087305.db2.gz DDRLSHITKSKXSF-YQVWRLOYSA-N 1 0 425.551 0.117 20 0 ICADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnc2ccc(I)cc2c1O ZINC001557816746 1073087399 /nfs/dbraw/zinc/08/73/99/1073087399.db2.gz KOCCATRUTSHWBO-NSHDSACASA-N 1 0 427.242 0.929 20 0 ICADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)c2)CC1 ZINC001557817112 1073087375 /nfs/dbraw/zinc/08/73/75/1073087375.db2.gz POSCMACLTDNJKW-JFIYKMOQSA-N 1 0 434.493 0.490 20 0 ICADRO CN1CC(=O)N(CC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)C1=O ZINC001557817608 1073087198 /nfs/dbraw/zinc/08/71/98/1073087198.db2.gz WFOPJTHTJJFZOT-UHFFFAOYSA-N 1 0 432.481 0.971 20 0 ICADRO C[NH+]1CCC(OCC(=O)N2CCN(c3ncc(I)cn3)CC2)CC1 ZINC001557851202 1073090832 /nfs/dbraw/zinc/09/08/32/1073090832.db2.gz FNUZEZMNUQVMIK-UHFFFAOYSA-N 1 0 445.305 0.841 20 0 ICADRO CCn1c(CCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001557865563 1073092099 /nfs/dbraw/zinc/09/20/99/1073092099.db2.gz MLLJZIQPSLZWEO-OAHLLOKOSA-N 1 0 437.566 0.422 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC001557866458 1073092272 /nfs/dbraw/zinc/09/22/72/1073092272.db2.gz WCIKIQOBKKDXAZ-CQSZACIVSA-N 1 0 436.534 0.767 20 0 ICADRO CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC001557878274 1073092701 /nfs/dbraw/zinc/09/27/01/1073092701.db2.gz QZFRVIFLEPCWND-UHFFFAOYSA-N 1 0 430.549 0.702 20 0 ICADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001557878833 1073093018 /nfs/dbraw/zinc/09/30/18/1073093018.db2.gz ZXUWPDXEOHWZKB-GOSISDBHSA-N 1 0 434.512 0.442 20 0 ICADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001557878835 1073093190 /nfs/dbraw/zinc/09/31/90/1073093190.db2.gz ZXUWPDXEOHWZKB-SFHVURJKSA-N 1 0 434.512 0.442 20 0 ICADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557882659 1073093859 /nfs/dbraw/zinc/09/38/59/1073093859.db2.gz JWRXOJMFSGXHCV-INIZCTEOSA-N 1 0 441.550 0.291 20 0 ICADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC001557882698 1073093978 /nfs/dbraw/zinc/09/39/78/1073093978.db2.gz KOXVYCRVWWUVMZ-ZDUSSCGKSA-N 1 0 433.958 0.840 20 0 ICADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC001557883906 1073094490 /nfs/dbraw/zinc/09/44/90/1073094490.db2.gz SDSHGFCBSIPWGE-ZDUSSCGKSA-N 1 0 431.580 0.469 20 0 ICADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001557896234 1073095755 /nfs/dbraw/zinc/09/57/55/1073095755.db2.gz JVMCBUJKIOGCJX-BTHPGYMESA-N 1 0 433.574 0.906 20 0 ICADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001557896238 1073095925 /nfs/dbraw/zinc/09/59/25/1073095925.db2.gz JVMCBUJKIOGCJX-GTAWCEEGSA-N 1 0 433.574 0.906 20 0 ICADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001557896241 1073095779 /nfs/dbraw/zinc/09/57/79/1073095779.db2.gz JVMCBUJKIOGCJX-LMCOJAPRSA-N 1 0 433.574 0.906 20 0 ICADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001557896244 1073095642 /nfs/dbraw/zinc/09/56/42/1073095642.db2.gz JVMCBUJKIOGCJX-RSPOEFSDSA-N 1 0 433.574 0.906 20 0 ICADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903088 1073096617 /nfs/dbraw/zinc/09/66/17/1073096617.db2.gz BYSGATKFKDGWFI-FQEVSTJZSA-N 1 0 430.509 0.388 20 0 ICADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903089 1073096798 /nfs/dbraw/zinc/09/67/98/1073096798.db2.gz BYSGATKFKDGWFI-HXUWFJFHSA-N 1 0 430.509 0.388 20 0 ICADRO CN1CCN(c2cc[nH+]c(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)c2)CC1 ZINC001557903126 1073097349 /nfs/dbraw/zinc/09/73/49/1073097349.db2.gz DPEDBMABHBRCTG-UHFFFAOYSA-N 1 0 438.536 0.691 20 0 ICADRO COc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)cc(OC)c1OCC(N)=O ZINC001557903150 1073097194 /nfs/dbraw/zinc/09/71/94/1073097194.db2.gz FMELMAHOPSYPKN-UHFFFAOYSA-N 1 0 429.477 0.967 20 0 ICADRO NC(=O)c1cn(CCC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001557910183 1073097435 /nfs/dbraw/zinc/09/74/35/1073097435.db2.gz NUCVFDXQDZABGD-KRWDZBQOSA-N 1 0 427.505 0.999 20 0 ICADRO NC(=O)c1cn(CCC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001557910184 1073097831 /nfs/dbraw/zinc/09/78/31/1073097831.db2.gz NUCVFDXQDZABGD-QGZVFWFLSA-N 1 0 427.505 0.999 20 0 ICADRO NC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC12CC[NH+](CC1)C2 ZINC001557917405 1073098990 /nfs/dbraw/zinc/09/89/90/1073098990.db2.gz YSFARQRKGNLBKI-CYBMUJFWSA-N 1 0 448.467 0.582 20 0 ICADRO NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC12CC[NH+](CC1)C2 ZINC001557917407 1073099116 /nfs/dbraw/zinc/09/91/16/1073099116.db2.gz YSFARQRKGNLBKI-ZDUSSCGKSA-N 1 0 448.467 0.582 20 0 ICADRO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)[n-]1 ZINC001557930602 1073100547 /nfs/dbraw/zinc/10/05/47/1073100547.db2.gz JINIJXJNYWWWRV-QZTJIDSGSA-N 1 0 443.548 0.693 20 0 ICADRO C[NH+]1CCC(n2cc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cn2)CC1 ZINC001557934256 1073100996 /nfs/dbraw/zinc/10/09/96/1073100996.db2.gz HGRABFZAUOFJMV-UHFFFAOYSA-N 1 0 448.549 0.886 20 0 ICADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1 ZINC001557965461 1073104917 /nfs/dbraw/zinc/10/49/17/1073104917.db2.gz FFMPVUAUESREDW-UHFFFAOYSA-N 1 0 443.658 0.914 20 0 ICADRO CNS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001557965702 1073104967 /nfs/dbraw/zinc/10/49/67/1073104967.db2.gz KLUPTVRZIQCSIY-UHFFFAOYSA-N 1 0 431.562 0.861 20 0 ICADRO 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O=C(C[N@H+]1C2CCC1(CO)CC2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001560163123 1073283562 /nfs/dbraw/zinc/28/35/62/1073283562.db2.gz JIWQYIILFUGWPI-UHFFFAOYSA-N 1 0 429.489 0.787 20 0 ICADRO CN1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC[N@H+](C)CC1 ZINC001560172318 1073285298 /nfs/dbraw/zinc/28/52/98/1073285298.db2.gz SVWAWJXJLOBESL-JXAWBTAJSA-N 1 0 446.577 0.413 20 0 ICADRO CN1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC[N@H+](C)CC1 ZINC001560172319 1073285138 /nfs/dbraw/zinc/28/51/38/1073285138.db2.gz SVWAWJXJLOBESL-NBVRZTHBSA-N 1 0 446.577 0.413 20 0 ICADRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC001560172584 1073285267 /nfs/dbraw/zinc/28/52/67/1073285267.db2.gz ANZIWBXPNCDQIV-RTBURBONSA-N 1 0 439.534 0.116 20 0 ICADRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001560172997 1073285035 /nfs/dbraw/zinc/28/50/35/1073285035.db2.gz PNXWDRBXUHODQB-IAGOWNOFSA-N 1 0 431.942 0.566 20 0 ICADRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001560173051 1073285082 /nfs/dbraw/zinc/28/50/82/1073285082.db2.gz RFNZKYWIJNNBOL-IAGOWNOFSA-N 1 0 449.932 0.706 20 0 ICADRO CCN(C(=O)C[NH2+][C@@H]1COCC[C@H]1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001560173104 1073285175 /nfs/dbraw/zinc/28/51/75/1073285175.db2.gz UBNKQGFJLSTIRF-HZPDHXFCSA-N 1 0 431.493 0.326 20 0 ICADRO COC(=O)[C@H]1C[N@H+](C[C@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175017 1073285061 /nfs/dbraw/zinc/28/50/61/1073285061.db2.gz DDNBHQYEVRWWCB-DOTOQJQBSA-N 1 0 428.526 0.885 20 0 ICADRO COC(=O)[C@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175018 1073285320 /nfs/dbraw/zinc/28/53/20/1073285320.db2.gz DDNBHQYEVRWWCB-NVXWUHKLSA-N 1 0 428.526 0.885 20 0 ICADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175019 1073285100 /nfs/dbraw/zinc/28/51/00/1073285100.db2.gz DDNBHQYEVRWWCB-RDJZCZTQSA-N 1 0 428.526 0.885 20 0 ICADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175020 1073285336 /nfs/dbraw/zinc/28/53/36/1073285336.db2.gz DDNBHQYEVRWWCB-WBVHZDCISA-N 1 0 428.526 0.885 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(N3CCCOC3=O)CC2)cc1 ZINC001560182118 1073285772 /nfs/dbraw/zinc/28/57/72/1073285772.db2.gz DVUSUXWGKJYQLJ-UHFFFAOYSA-N 1 0 438.550 0.690 20 0 ICADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](NC(=O)c4ccc(Cl)cc4)C3)c2c(=O)n(C)c1=O ZINC001560184205 1073286499 /nfs/dbraw/zinc/28/64/99/1073286499.db2.gz HPQSYXILQVJFGI-INIZCTEOSA-N 1 0 444.923 0.982 20 0 ICADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](NC(=O)c4ccc(Cl)cc4)C3)c2c(=O)n(C)c1=O ZINC001560184206 1073286392 /nfs/dbraw/zinc/28/63/92/1073286392.db2.gz HPQSYXILQVJFGI-MRXNPFEDSA-N 1 0 444.923 0.982 20 0 ICADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC001560184845 1073286133 /nfs/dbraw/zinc/28/61/33/1073286133.db2.gz JNXLFBIHQJVSMP-SJORKVTESA-N 1 0 436.578 0.572 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC001560185292 1073286464 /nfs/dbraw/zinc/28/64/64/1073286464.db2.gz PXARKDCVZUDFTQ-MSOLQXFVSA-N 1 0 425.551 0.510 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC001560185294 1073286209 /nfs/dbraw/zinc/28/62/09/1073286209.db2.gz PXARKDCVZUDFTQ-QZTJIDSGSA-N 1 0 425.551 0.510 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC001560185295 1073286318 /nfs/dbraw/zinc/28/63/18/1073286318.db2.gz PXARKDCVZUDFTQ-ROUUACIJSA-N 1 0 425.551 0.510 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC001560185297 1073286281 /nfs/dbraw/zinc/28/62/81/1073286281.db2.gz PXARKDCVZUDFTQ-ZWKOTPCHSA-N 1 0 425.551 0.510 20 0 ICADRO C[C@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001560186299 1073286956 /nfs/dbraw/zinc/28/69/56/1073286956.db2.gz MUJABXDTOBMQIK-BBRMVZONSA-N 1 0 433.596 0.986 20 0 ICADRO C[C@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001560186300 1073286985 /nfs/dbraw/zinc/28/69/85/1073286985.db2.gz MUJABXDTOBMQIK-XJKSGUPXSA-N 1 0 433.596 0.986 20 0 ICADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194079 1073287424 /nfs/dbraw/zinc/28/74/24/1073287424.db2.gz RTFBEGWQVXMEQF-BLLLJJGKSA-N 1 0 435.468 0.777 20 0 ICADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194171 1073287759 /nfs/dbraw/zinc/28/77/59/1073287759.db2.gz RTFBEGWQVXMEQF-LRDDRELGSA-N 1 0 435.468 0.777 20 0 ICADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194175 1073287627 /nfs/dbraw/zinc/28/76/27/1073287627.db2.gz RTFBEGWQVXMEQF-MLGOLLRUSA-N 1 0 435.468 0.777 20 0 ICADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194177 1073287490 /nfs/dbraw/zinc/28/74/90/1073287490.db2.gz RTFBEGWQVXMEQF-WBMJQRKESA-N 1 0 435.468 0.777 20 0 ICADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC4(CC3)C[C@H](O)CNC4=O)CC2)C1 ZINC001560195169 1073287525 /nfs/dbraw/zinc/28/75/25/1073287525.db2.gz AMPCMDASFBVAHG-HKUYNNGSSA-N 1 0 434.581 0.447 20 0 ICADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC4(CC3)C[C@@H](O)CNC4=O)CC2)C1 ZINC001560195170 1073287552 /nfs/dbraw/zinc/28/75/52/1073287552.db2.gz AMPCMDASFBVAHG-IEBWSBKVSA-N 1 0 434.581 0.447 20 0 ICADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC4(CC3)C[C@H](O)CNC4=O)CC2)C1 ZINC001560195171 1073287727 /nfs/dbraw/zinc/28/77/27/1073287727.db2.gz AMPCMDASFBVAHG-MJGOQNOKSA-N 1 0 434.581 0.447 20 0 ICADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC4(CC3)C[C@@H](O)CNC4=O)CC2)C1 ZINC001560195172 1073287573 /nfs/dbraw/zinc/28/75/73/1073287573.db2.gz AMPCMDASFBVAHG-PKOBYXMFSA-N 1 0 434.581 0.447 20 0 ICADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001560198987 1073288203 /nfs/dbraw/zinc/28/82/03/1073288203.db2.gz IFNRBHSVMVSZMJ-LPTQZCDUSA-N 1 0 437.562 0.459 20 0 ICADRO 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ZINC001560211800 1073289528 /nfs/dbraw/zinc/28/95/28/1073289528.db2.gz TZUXPIIUJXLLQN-CYBMUJFWSA-N 1 0 425.288 0.854 20 0 ICADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](CO)c2ccccc2I)CC1 ZINC001560211801 1073289394 /nfs/dbraw/zinc/28/93/94/1073289394.db2.gz TZUXPIIUJXLLQN-ZDUSSCGKSA-N 1 0 425.288 0.854 20 0 ICADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001560215011 1073290015 /nfs/dbraw/zinc/29/00/15/1073290015.db2.gz AZMNVLFNTDSEPF-MUUNZHRXSA-N 1 0 445.611 0.949 20 0 ICADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001560215012 1073290290 /nfs/dbraw/zinc/29/02/90/1073290290.db2.gz AZMNVLFNTDSEPF-NDEPHWFRSA-N 1 0 445.611 0.949 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001560217144 1073290314 /nfs/dbraw/zinc/29/03/14/1073290314.db2.gz GMVYXDWNMFGXHR-UHFFFAOYSA-N 1 0 438.594 0.306 20 0 ICADRO CC(C)N(CCCNC(=O)CN1CCC(O)(C[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC001560217983 1073289983 /nfs/dbraw/zinc/28/99/83/1073289983.db2.gz 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0.999 20 0 ICADRO O=C(C[N@@H+]1CC[C@@]2(CCOC2=O)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001560237305 1073291255 /nfs/dbraw/zinc/29/12/55/1073291255.db2.gz KYMKZRZQZLHKHR-CKOFDZGGSA-N 1 0 430.486 0.873 20 0 ICADRO O=C(C[N@@H+]1CC[C@]2(CCOC2=O)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001560237306 1073291301 /nfs/dbraw/zinc/29/13/01/1073291301.db2.gz KYMKZRZQZLHKHR-XIJQHFHMSA-N 1 0 430.486 0.873 20 0 ICADRO O=C(C[N@@H+]1CC[C@@]2(CCOC2=O)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001560237307 1073291451 /nfs/dbraw/zinc/29/14/51/1073291451.db2.gz KYMKZRZQZLHKHR-XMUSRXTASA-N 1 0 430.486 0.873 20 0 ICADRO O=C(C[N@@H+]1CC[C@]2(CCOC2=O)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001560237308 1073291282 /nfs/dbraw/zinc/29/12/82/1073291282.db2.gz KYMKZRZQZLHKHR-ZRGSNEMSSA-N 1 0 430.486 0.873 20 0 ICADRO CN(CCCNC(=O)C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)S(C)(=O)=O ZINC001560242225 1073291404 /nfs/dbraw/zinc/29/14/04/1073291404.db2.gz DLBFBYZTPQSRNF-BEFAXECRSA-N 1 0 432.587 0.906 20 0 ICADRO CC[N@H+](C)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 ZINC001560243534 1073291341 /nfs/dbraw/zinc/29/13/41/1073291341.db2.gz XAHDBHURIUFKOR-IBGZPJMESA-N 1 0 436.578 0.748 20 0 ICADRO CC[N@H+](C)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 ZINC001560243535 1073291240 /nfs/dbraw/zinc/29/12/40/1073291240.db2.gz XAHDBHURIUFKOR-LJQANCHMSA-N 1 0 436.578 0.748 20 0 ICADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560244009 1073291379 /nfs/dbraw/zinc/29/13/79/1073291379.db2.gz BKPJQHIFTDEHQJ-MSOLQXFVSA-N 1 0 428.574 0.469 20 0 ICADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560244010 1073291424 /nfs/dbraw/zinc/29/14/24/1073291424.db2.gz BKPJQHIFTDEHQJ-ROUUACIJSA-N 1 0 428.574 0.469 20 0 ICADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560245085 1073291309 /nfs/dbraw/zinc/29/13/09/1073291309.db2.gz ZLLRLZSCQVFOGZ-INIZCTEOSA-N 1 0 432.587 0.860 20 0 ICADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001560266879 1073291273 /nfs/dbraw/zinc/29/12/73/1073291273.db2.gz VAKIRZIXZLQPCD-UHFFFAOYSA-N 1 0 433.534 0.978 20 0 ICADRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC001560312023 1073291369 /nfs/dbraw/zinc/29/13/69/1073291369.db2.gz RERQBQUFEKQVAD-UHFFFAOYSA-N 1 0 433.372 0.739 20 0 ICADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)CC1 ZINC001560313698 1073292215 /nfs/dbraw/zinc/29/22/15/1073292215.db2.gz OIRPNQOGBQBKNS-UHFFFAOYSA-N 1 0 445.545 0.805 20 0 ICADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)c(Br)c3)C2=O)cn1 ZINC001560346205 1073292157 /nfs/dbraw/zinc/29/21/57/1073292157.db2.gz MNZPQOTYZFGXQA-CYBMUJFWSA-N 1 0 428.312 0.725 20 0 ICADRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)c(Br)c3)C2=O)cn1 ZINC001560346206 1073292254 /nfs/dbraw/zinc/29/22/54/1073292254.db2.gz MNZPQOTYZFGXQA-ZDUSSCGKSA-N 1 0 428.312 0.725 20 0 ICADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC001560474064 1073292039 /nfs/dbraw/zinc/29/20/39/1073292039.db2.gz BLPORGUHHRSASJ-BDJLRTHQSA-N 1 0 435.340 0.602 20 0 ICADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC001560474065 1073292190 /nfs/dbraw/zinc/29/21/90/1073292190.db2.gz BLPORGUHHRSASJ-BZNIZROVSA-N 1 0 435.340 0.602 20 0 ICADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC001560474066 1073292067 /nfs/dbraw/zinc/29/20/67/1073292067.db2.gz BLPORGUHHRSASJ-MEDUHNTESA-N 1 0 435.340 0.602 20 0 ICADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC001560474067 1073291879 /nfs/dbraw/zinc/29/18/79/1073291879.db2.gz BLPORGUHHRSASJ-ZBEGNZNMSA-N 1 0 435.340 0.602 20 0 ICADRO COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OCC(N)=O ZINC001560512813 1073291935 /nfs/dbraw/zinc/29/19/35/1073291935.db2.gz PMRLOAKEWWHNEG-AWEZNQCLSA-N 1 0 436.486 0.892 20 0 ICADRO COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc(OC)c1OCC(N)=O ZINC001560512816 1073292116 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/nfs/dbraw/zinc/29/28/27/1073292827.db2.gz AESXBCFDSSVNBN-FQEVSTJZSA-N 1 0 432.502 0.510 20 0 ICADRO CO[C@@]1(C[NH2+]Cc2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001560595412 1073292896 /nfs/dbraw/zinc/29/28/96/1073292896.db2.gz AESXBCFDSSVNBN-HXUWFJFHSA-N 1 0 432.502 0.510 20 0 ICADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001560610003 1073292653 /nfs/dbraw/zinc/29/26/53/1073292653.db2.gz HIZYSOWKUVDBGI-INIZCTEOSA-N 1 0 448.568 0.875 20 0 ICADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001560610004 1073292781 /nfs/dbraw/zinc/29/27/81/1073292781.db2.gz HIZYSOWKUVDBGI-MRXNPFEDSA-N 1 0 448.568 0.875 20 0 ICADRO COc1ccc(C[NH2+][C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1OCC(N)=O ZINC001560610478 1073292585 /nfs/dbraw/zinc/29/25/85/1073292585.db2.gz XFKZABRVSHHMDF-HNNXBMFYSA-N 1 0 448.520 0.869 20 0 ICADRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1OCC(N)=O ZINC001560610479 1073292811 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JYVVVGHDLNUJQX-UHFFFAOYSA-N 1 0 443.595 0.936 20 0 ICADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001562010490 1073425768 /nfs/dbraw/zinc/42/57/68/1073425768.db2.gz FCTLWHRHFSNJQC-UHFFFAOYSA-N 1 0 445.607 0.938 20 0 ICADRO C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CC1 ZINC001562023061 1073428547 /nfs/dbraw/zinc/42/85/47/1073428547.db2.gz VTMRFNJMWKQNIX-CABCVRRESA-N 1 0 447.545 0.395 20 0 ICADRO C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CC1 ZINC001562023062 1073428670 /nfs/dbraw/zinc/42/86/70/1073428670.db2.gz VTMRFNJMWKQNIX-GJZGRUSLSA-N 1 0 447.545 0.395 20 0 ICADRO C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CC1 ZINC001562023063 1073428520 /nfs/dbraw/zinc/42/85/20/1073428520.db2.gz VTMRFNJMWKQNIX-HUUCEWRRSA-N 1 0 447.545 0.395 20 0 ICADRO C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CC1 ZINC001562023064 1073428414 /nfs/dbraw/zinc/42/84/14/1073428414.db2.gz VTMRFNJMWKQNIX-LSDHHAIUSA-N 1 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C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001562065093 1073433203 /nfs/dbraw/zinc/43/32/03/1073433203.db2.gz JDSUFAXASYVWKK-KDOFPFPSSA-N 1 0 426.587 0.759 20 0 ICADRO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001562065094 1073433256 /nfs/dbraw/zinc/43/32/56/1073433256.db2.gz JDSUFAXASYVWKK-KSSFIOAISA-N 1 0 426.587 0.759 20 0 ICADRO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001562065095 1073433456 /nfs/dbraw/zinc/43/34/56/1073433456.db2.gz JDSUFAXASYVWKK-RDTXWAMCSA-N 1 0 426.587 0.759 20 0 ICADRO CC[N@H+](C)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC001562066395 1073434303 /nfs/dbraw/zinc/43/43/03/1073434303.db2.gz DUSMYJAEWNTNBL-CVEARBPZSA-N 1 0 444.579 0.710 20 0 ICADRO CC[N@H+](C)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC001562066396 1073434364 /nfs/dbraw/zinc/43/43/64/1073434364.db2.gz DUSMYJAEWNTNBL-HOTGVXAUSA-N 1 0 444.579 0.710 20 0 ICADRO 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1073443526 /nfs/dbraw/zinc/44/35/26/1073443526.db2.gz XYPQWMRPHCLOIB-UHFFFAOYSA-N 1 0 444.536 0.657 20 0 ICADRO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001562224381 1073443623 /nfs/dbraw/zinc/44/36/23/1073443623.db2.gz DTZBJQVWRRQKMY-LSDHHAIUSA-N 1 0 428.486 0.129 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001562252446 1073445686 /nfs/dbraw/zinc/44/56/86/1073445686.db2.gz FWRKZRMJAVBLFF-UHFFFAOYSA-N 1 0 425.555 0.405 20 0 ICADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001562280753 1073446384 /nfs/dbraw/zinc/44/63/84/1073446384.db2.gz GUAIDPZEDRUKDX-UHFFFAOYSA-N 1 0 432.569 0.794 20 0 ICADRO CCN1CCN(C(=O)c2ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc2)CC1 ZINC001562293539 1073447008 /nfs/dbraw/zinc/44/70/08/1073447008.db2.gz QNSRMUXSPWDHBD-UHFFFAOYSA-N 1 0 432.569 0.948 20 0 ICADRO CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC001562301857 1073446759 /nfs/dbraw/zinc/44/67/59/1073446759.db2.gz WFSILIFSVFGLGV-UHFFFAOYSA-N 1 0 441.536 0.990 20 0 ICADRO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448723 /nfs/dbraw/zinc/44/87/23/1073448723.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 1 0 425.555 0.201 20 0 ICADRO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC001562329858 1073448412 /nfs/dbraw/zinc/44/84/12/1073448412.db2.gz JQQXJIMZMAFROW-UHFFFAOYSA-N 1 0 432.569 0.475 20 0 ICADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001562355538 1073449866 /nfs/dbraw/zinc/44/98/66/1073449866.db2.gz DLHISUKMEDCFFQ-UHFFFAOYSA-N 1 0 441.602 0.168 20 0 ICADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)cn2)CC1 ZINC001562355947 1073449814 /nfs/dbraw/zinc/44/98/14/1073449814.db2.gz RWHQTWRHMQNJCP-KRWDZBQOSA-N 1 0 440.570 0.132 20 0 ICADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)cn2)CC1 ZINC001562355948 1073449976 /nfs/dbraw/zinc/44/99/76/1073449976.db2.gz RWHQTWRHMQNJCP-QGZVFWFLSA-N 1 0 440.570 0.132 20 0 ICADRO 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C[NH+](C)CCN1CCN(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CC1=O ZINC001562858988 1072463644 /nfs/dbraw/zinc/46/36/44/1072463644.db2.gz RASFUUXVELKOPY-UHFFFAOYSA-N 1 0 438.550 0.877 20 0 ICADRO C[NH+](C)CCn1nccc1NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001562882587 1072464088 /nfs/dbraw/zinc/46/40/88/1072464088.db2.gz NUVWFOVOVZKLGU-HNNXBMFYSA-N 1 0 426.477 0.974 20 0 ICADRO C[NH+](C)CCn1nccc1NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001562882589 1072464027 /nfs/dbraw/zinc/46/40/27/1072464027.db2.gz NUVWFOVOVZKLGU-OAHLLOKOSA-N 1 0 426.477 0.974 20 0 ICADRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001562883131 1072464000 /nfs/dbraw/zinc/46/40/00/1072464000.db2.gz XIKHENIXJAHJIV-UHFFFAOYSA-N 1 0 436.538 0.787 20 0 ICADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2n[nH]nc2C(=O)N2CCCC2)c1 ZINC001562920499 1072464552 /nfs/dbraw/zinc/46/45/52/1072464552.db2.gz CTKZNYSWWZSXRZ-UHFFFAOYSA-N 1 0 428.497 0.654 20 0 ICADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)Nc1n[nH]nc1C(=O)N1CCCC1 ZINC001562921029 1072465187 /nfs/dbraw/zinc/46/51/87/1072465187.db2.gz TWYGNCKYNZKBCL-UHFFFAOYSA-N 1 0 442.528 0.555 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001562935261 1072465071 /nfs/dbraw/zinc/46/50/71/1072465071.db2.gz KOJMFQIZPVYFHG-CYBMUJFWSA-N 1 0 429.568 0.678 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001562935262 1072465142 /nfs/dbraw/zinc/46/51/42/1072465142.db2.gz KOJMFQIZPVYFHG-ZDUSSCGKSA-N 1 0 429.568 0.678 20 0 ICADRO COc1cc(NC(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)ccc1OCC[NH+](C)C ZINC001562956572 1072466713 /nfs/dbraw/zinc/46/67/13/1072466713.db2.gz DVEMNTKFHOLRJJ-QGTPRVQTSA-N 1 0 427.523 0.911 20 0 ICADRO COc1cc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1OCC[NH+](C)C ZINC001562956582 1072466661 /nfs/dbraw/zinc/46/66/61/1072466661.db2.gz FGYLOOGIALHZDN-UHFFFAOYSA-N 1 0 429.543 0.592 20 0 ICADRO CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc1 ZINC001562998149 1072467225 /nfs/dbraw/zinc/46/72/25/1072467225.db2.gz LINGXJNYBPZAAJ-UHFFFAOYSA-N 1 0 435.554 0.707 20 0 ICADRO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001563027925 1072511789 /nfs/dbraw/zinc/51/17/89/1072511789.db2.gz FOADOKHVMAQWGG-DLBZAZTESA-N 1 0 438.550 0.553 20 0 ICADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(=O)n(CC(N)=O)c3)cc2)CC1 ZINC001563036121 1072516140 /nfs/dbraw/zinc/51/61/40/1072516140.db2.gz NZRSCTFTZBRFFS-UHFFFAOYSA-N 1 0 426.521 0.793 20 0 ICADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 ZINC001563038268 1072516203 /nfs/dbraw/zinc/51/62/03/1072516203.db2.gz UQWIYFVNENOSPN-UHFFFAOYSA-N 1 0 442.520 0.628 20 0 ICADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001563049974 1072516533 /nfs/dbraw/zinc/51/65/33/1072516533.db2.gz SJXHMNMHECHHMS-AZUAARDMSA-N 1 0 438.550 0.569 20 0 ICADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)CC[N@H+](C)C1 ZINC001563113957 1073475515 /nfs/dbraw/zinc/47/55/15/1073475515.db2.gz VXQAHLJGQCRFOF-DHMKHTPVSA-N 1 0 439.538 0.970 20 0 ICADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)CC[N@H+](C)C1 ZINC001563113958 1073475418 /nfs/dbraw/zinc/47/54/18/1073475418.db2.gz VXQAHLJGQCRFOF-FOGNVHKLSA-N 1 0 439.538 0.970 20 0 ICADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)CC[N@H+](C)C1 ZINC001563113959 1073475498 /nfs/dbraw/zinc/47/54/98/1073475498.db2.gz VXQAHLJGQCRFOF-INCQDFKNSA-N 1 0 439.538 0.970 20 0 ICADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)CC[N@H+](C)C1 ZINC001563113960 1073475390 /nfs/dbraw/zinc/47/53/90/1073475390.db2.gz VXQAHLJGQCRFOF-JGVYIQDASA-N 1 0 439.538 0.970 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC001563135214 1073476736 /nfs/dbraw/zinc/47/67/36/1073476736.db2.gz HUAHFYWLWNVZRV-KRWDZBQOSA-N 1 0 433.534 0.896 20 0 ICADRO O=C(Nc1cccc(CN2CCOCC2)n1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001563141337 1073476887 /nfs/dbraw/zinc/47/68/87/1073476887.db2.gz NVTYPCAPRLCQFT-FQEVSTJZSA-N 1 0 432.569 0.832 20 0 ICADRO O=C(Nc1cccc(CN2CCOCC2)n1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001563141339 1073476798 /nfs/dbraw/zinc/47/67/98/1073476798.db2.gz NVTYPCAPRLCQFT-HXUWFJFHSA-N 1 0 432.569 0.832 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001563161445 1073477338 /nfs/dbraw/zinc/47/73/38/1073477338.db2.gz OYHJXSBUEKZJMU-DLBZAZTESA-N 1 0 434.493 0.661 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001563161446 1073477428 /nfs/dbraw/zinc/47/74/28/1073477428.db2.gz OYHJXSBUEKZJMU-IAGOWNOFSA-N 1 0 434.493 0.661 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001563161447 1073477564 /nfs/dbraw/zinc/47/75/64/1073477564.db2.gz OYHJXSBUEKZJMU-IRXDYDNUSA-N 1 0 434.493 0.661 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001563161448 1073477363 /nfs/dbraw/zinc/47/73/63/1073477363.db2.gz OYHJXSBUEKZJMU-SJORKVTESA-N 1 0 434.493 0.661 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001563161503 1073477452 /nfs/dbraw/zinc/47/74/52/1073477452.db2.gz QMFBDZLMSZSPCS-INIZCTEOSA-N 1 0 434.493 0.973 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001563161504 1073477402 /nfs/dbraw/zinc/47/74/02/1073477402.db2.gz QMFBDZLMSZSPCS-MRXNPFEDSA-N 1 0 434.493 0.973 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001563161646 1073477386 /nfs/dbraw/zinc/47/73/86/1073477386.db2.gz WOZJVQHHAFRMQO-KRWDZBQOSA-N 1 0 447.536 0.842 20 0 ICADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001563161647 1073477514 /nfs/dbraw/zinc/47/75/14/1073477514.db2.gz WOZJVQHHAFRMQO-QGZVFWFLSA-N 1 0 447.536 0.842 20 0 ICADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001563166447 1073478147 /nfs/dbraw/zinc/47/81/47/1073478147.db2.gz PARPIXBBNZNUMX-UHFFFAOYSA-N 1 0 427.575 0.886 20 0 ICADRO C[NH+]1CCC(n2cc(NC(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)cn2)CC1 ZINC001563166725 1073478320 /nfs/dbraw/zinc/47/83/20/1073478320.db2.gz ZRIDAGQNVDBWRQ-UHFFFAOYSA-N 1 0 437.526 0.817 20 0 ICADRO COCCOc1cc(C(=O)OC)ccc1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001563176663 1073478350 /nfs/dbraw/zinc/47/83/50/1073478350.db2.gz JLWDKYHHGJMAHH-HRAATJIYSA-N 1 0 437.493 0.846 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nn2)CC1 ZINC001563224863 1073479018 /nfs/dbraw/zinc/47/90/18/1073479018.db2.gz IELYUGXMEGEHHM-UHFFFAOYSA-N 1 0 440.570 0.828 20 0 ICADRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)CC2)CC1 ZINC001563246590 1073479599 /nfs/dbraw/zinc/47/95/99/1073479599.db2.gz KIBOMQLBJZJXBW-UHFFFAOYSA-N 1 0 435.550 0.904 20 0 ICADRO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001563276587 1073480420 /nfs/dbraw/zinc/48/04/20/1073480420.db2.gz PVVUHVVPVBZJMO-BBRMVZONSA-N 1 0 431.584 0.859 20 0 ICADRO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001563276588 1073480242 /nfs/dbraw/zinc/48/02/42/1073480242.db2.gz PVVUHVVPVBZJMO-CJNGLKHVSA-N 1 0 431.584 0.859 20 0 ICADRO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001563276589 1073480358 /nfs/dbraw/zinc/48/03/58/1073480358.db2.gz PVVUHVVPVBZJMO-CZUORRHYSA-N 1 0 431.584 0.859 20 0 ICADRO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001563276590 1073480383 /nfs/dbraw/zinc/48/03/83/1073480383.db2.gz PVVUHVVPVBZJMO-XJKSGUPXSA-N 1 0 431.584 0.859 20 0 ICADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001563284645 1073480446 /nfs/dbraw/zinc/48/04/46/1073480446.db2.gz MLBBTQGLQMEUMV-CRAIPNDOSA-N 1 0 428.537 0.727 20 0 ICADRO C[C@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001563284646 1073480334 /nfs/dbraw/zinc/48/03/34/1073480334.db2.gz MLBBTQGLQMEUMV-MAUKXSAKSA-N 1 0 428.537 0.727 20 0 ICADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001563284647 1073480271 /nfs/dbraw/zinc/48/02/71/1073480271.db2.gz MLBBTQGLQMEUMV-QAPCUYQASA-N 1 0 428.537 0.727 20 0 ICADRO C[C@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001563284648 1073481020 /nfs/dbraw/zinc/48/10/20/1073481020.db2.gz MLBBTQGLQMEUMV-YJBOKZPZSA-N 1 0 428.537 0.727 20 0 ICADRO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccn(CCN4CC[NH+]=C4[O-])n3)ccn2)CC1 ZINC001563291504 1073481724 /nfs/dbraw/zinc/48/17/24/1073481724.db2.gz RTGLZTHAPVTLCI-UHFFFAOYSA-N 1 0 427.513 0.377 20 0 ICADRO COC(=O)c1cc(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)n(C)n1 ZINC001563344121 1073483790 /nfs/dbraw/zinc/48/37/90/1073483790.db2.gz WJDQHHZPMDDVAW-HOTGVXAUSA-N 1 0 426.477 0.927 20 0 ICADRO C[N@H+](CCNC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)CCOCCO ZINC001563360176 1073484427 /nfs/dbraw/zinc/48/44/27/1073484427.db2.gz FZTIMAQHIZFLHQ-UHFFFAOYSA-N 1 0 426.518 0.737 20 0 ICADRO CC[NH+](CC)CCOc1cccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC001563381198 1073485017 /nfs/dbraw/zinc/48/50/17/1073485017.db2.gz ZKAVTSPBRALSQC-UHFFFAOYSA-N 1 0 427.571 0.845 20 0 ICADRO Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001563384433 1073485155 /nfs/dbraw/zinc/48/51/55/1073485155.db2.gz NEHONTHMYXQNKZ-JKSUJKDBSA-N 1 0 449.556 0.634 20 0 ICADRO O=C(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)NCC(=O)NCc1ccccc1 ZINC001563412819 1073485876 /nfs/dbraw/zinc/48/58/76/1073485876.db2.gz ZRMXASXVBNOZSA-UHFFFAOYSA-N 1 0 445.564 0.753 20 0 ICADRO COc1ccc([C@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)[NH+](C)C)cc1OC ZINC001563415297 1073486496 /nfs/dbraw/zinc/48/64/96/1073486496.db2.gz ZGSMTYBMUJDPBF-HRAATJIYSA-N 1 0 436.509 0.234 20 0 ICADRO COc1ccc([C@@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)[NH+](C)C)cc1OC ZINC001563415298 1073486278 /nfs/dbraw/zinc/48/62/78/1073486278.db2.gz ZGSMTYBMUJDPBF-IERDGZPVSA-N 1 0 436.509 0.234 20 0 ICADRO COc1ccc([C@@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)[NH+](C)C)cc1OC ZINC001563415299 1073486452 /nfs/dbraw/zinc/48/64/52/1073486452.db2.gz ZGSMTYBMUJDPBF-IIBYNOLFSA-N 1 0 436.509 0.234 20 0 ICADRO COc1ccc([C@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)[NH+](C)C)cc1OC ZINC001563415300 1073486435 /nfs/dbraw/zinc/48/64/35/1073486435.db2.gz ZGSMTYBMUJDPBF-KKSFZXQISA-N 1 0 436.509 0.234 20 0 ICADRO COc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(O)CC2)N2CCOCC2)cc1OC ZINC001563416711 1073487150 /nfs/dbraw/zinc/48/71/50/1073487150.db2.gz HQJQDIYZCXQZSY-IBGZPJMESA-N 1 0 436.553 0.833 20 0 ICADRO COc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)N2CCOCC2)cc1OC ZINC001563416712 1073487064 /nfs/dbraw/zinc/48/70/64/1073487064.db2.gz HQJQDIYZCXQZSY-LJQANCHMSA-N 1 0 436.553 0.833 20 0 ICADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001563422974 1073487179 /nfs/dbraw/zinc/48/71/79/1073487179.db2.gz GSOLEJYPDDGHCU-KRWDZBQOSA-N 1 0 425.555 0.451 20 0 ICADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 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C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001563824977 1073514075 /nfs/dbraw/zinc/51/40/75/1073514075.db2.gz ISNOAKNEXNTOSW-UHFFFAOYSA-N 1 0 436.513 0.619 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001563864580 1073515589 /nfs/dbraw/zinc/51/55/89/1073515589.db2.gz DEARRGRPKCAEIK-KRWDZBQOSA-N 1 0 429.587 0.139 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001563864581 1073515361 /nfs/dbraw/zinc/51/53/61/1073515361.db2.gz DEARRGRPKCAEIK-QGZVFWFLSA-N 1 0 429.587 0.139 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001563864598 1073515415 /nfs/dbraw/zinc/51/54/15/1073515415.db2.gz DOBIZMBNELSDQE-DLBZAZTESA-N 1 0 441.573 0.864 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001563864599 1073515552 /nfs/dbraw/zinc/51/55/52/1073515552.db2.gz DOBIZMBNELSDQE-IAGOWNOFSA-N 1 0 441.573 0.864 20 0 ICADRO 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CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC001563865054 1073516291 /nfs/dbraw/zinc/51/62/91/1073516291.db2.gz PVHBJZZHWNFAFR-MRXNPFEDSA-N 1 0 445.572 0.106 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865138 1073516080 /nfs/dbraw/zinc/51/60/80/1073516080.db2.gz SOVWREVHVBPMOP-CVEARBPZSA-N 1 0 438.550 0.463 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865139 1073516328 /nfs/dbraw/zinc/51/63/28/1073516328.db2.gz SOVWREVHVBPMOP-HOTGVXAUSA-N 1 0 438.550 0.463 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865140 1073516236 /nfs/dbraw/zinc/51/62/36/1073516236.db2.gz SOVWREVHVBPMOP-HZPDHXFCSA-N 1 0 438.550 0.463 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865141 1073515993 /nfs/dbraw/zinc/51/59/93/1073515993.db2.gz SOVWREVHVBPMOP-JKSUJKDBSA-N 1 0 438.550 0.463 20 0 ICADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001563878450 1073517343 /nfs/dbraw/zinc/51/73/43/1073517343.db2.gz IWIHLHDICUKKKZ-IBGZPJMESA-N 1 0 429.631 0.860 20 0 ICADRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001563878451 1073517208 /nfs/dbraw/zinc/51/72/08/1073517208.db2.gz IWIHLHDICUKKKZ-LJQANCHMSA-N 1 0 429.631 0.860 20 0 ICADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001563878529 1073517414 /nfs/dbraw/zinc/51/74/14/1073517414.db2.gz LDVAJVZKEFYZPG-UHFFFAOYSA-N 1 0 437.610 0.918 20 0 ICADRO O=C(CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)NCC[NH+]1CCCCCC1 ZINC001563880607 1073517890 /nfs/dbraw/zinc/51/78/90/1073517890.db2.gz CDQKAKBWOCSPIO-UHFFFAOYSA-N 1 0 444.580 0.627 20 0 ICADRO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC001563885034 1073517927 /nfs/dbraw/zinc/51/79/27/1073517927.db2.gz PGIQHRJEPOFCRH-HNNXBMFYSA-N 1 0 442.561 0.430 20 0 ICADRO CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC001563885035 1073517837 /nfs/dbraw/zinc/51/78/37/1073517837.db2.gz PGIQHRJEPOFCRH-OAHLLOKOSA-N 1 0 442.561 0.430 20 0 ICADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001563887502 1073517746 /nfs/dbraw/zinc/51/77/46/1073517746.db2.gz QMYGAJJKNYRHIK-JOCHJYFZSA-N 1 0 430.553 0.957 20 0 ICADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001563887503 1073517983 /nfs/dbraw/zinc/51/79/83/1073517983.db2.gz QMYGAJJKNYRHIK-QFIPXVFZSA-N 1 0 430.553 0.957 20 0 ICADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC001563887511 1073518495 /nfs/dbraw/zinc/51/84/95/1073518495.db2.gz QRRSXSWWECKYNS-AWEZNQCLSA-N 1 0 427.546 0.972 20 0 ICADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC001563887512 1073518589 /nfs/dbraw/zinc/51/85/89/1073518589.db2.gz QRRSXSWWECKYNS-CQSZACIVSA-N 1 0 427.546 0.972 20 0 ICADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563893049 1073518998 /nfs/dbraw/zinc/51/89/98/1073518998.db2.gz QRVRGKOLNDWFLN-KRWDZBQOSA-N 1 0 441.573 0.818 20 0 ICADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001563907973 1073520239 /nfs/dbraw/zinc/52/02/39/1073520239.db2.gz ASTOHHAKMBYDAP-UHFFFAOYSA-N 1 0 445.568 0.412 20 0 ICADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H](CN3CC[NH+](C)CC3)c3ccccc3)C[C@H]21 ZINC001563924671 1073522712 /nfs/dbraw/zinc/52/27/12/1073522712.db2.gz ILNDHJOZCQUQKB-HAGHYFMRSA-N 1 0 436.578 0.429 20 0 ICADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H](CN3CC[NH+](C)CC3)c3ccccc3)C[C@H]21 ZINC001563924672 1073522611 /nfs/dbraw/zinc/52/26/11/1073522611.db2.gz ILNDHJOZCQUQKB-NMLBUPMWSA-N 1 0 436.578 0.429 20 0 ICADRO COCCOCCN1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC001563925525 1073522528 /nfs/dbraw/zinc/52/25/28/1073522528.db2.gz VNGZJXIDOKZEQE-JOCHJYFZSA-N 1 0 433.597 0.965 20 0 ICADRO COCCOCCN1CCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC001563925526 1073522430 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/nfs/dbraw/zinc/52/25/54/1073522554.db2.gz OHJAZDTYZNFPBM-SSEXGKCCSA-N 1 0 444.598 0.415 20 0 ICADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)CC1 ZINC001563939860 1073523217 /nfs/dbraw/zinc/52/32/17/1073523217.db2.gz ZPAZRKHHXLLCBQ-UHFFFAOYSA-N 1 0 445.572 0.106 20 0 ICADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC001563953375 1073523736 /nfs/dbraw/zinc/52/37/36/1073523736.db2.gz KLKVHIBQFUQMCB-UHFFFAOYSA-N 1 0 435.591 0.603 20 0 ICADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)NCCNS(C)(=O)=O)CC1 ZINC001563955183 1073524246 /nfs/dbraw/zinc/52/42/46/1073524246.db2.gz GOUGGAXIYDEYGB-UHFFFAOYSA-N 1 0 435.591 0.558 20 0 ICADRO CO[C@]1(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCS(=O)(=O)C1 ZINC001563956036 1073524226 /nfs/dbraw/zinc/52/42/26/1073524226.db2.gz ADBSHHQJKZMQTB-FQEVSTJZSA-N 1 0 425.551 0.646 20 0 ICADRO CO[C@@]1(CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCS(=O)(=O)C1 ZINC001563956037 1073524368 /nfs/dbraw/zinc/52/43/68/1073524368.db2.gz ADBSHHQJKZMQTB-HXUWFJFHSA-N 1 0 425.551 0.646 20 0 ICADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001563956654 1073524210 /nfs/dbraw/zinc/52/42/10/1073524210.db2.gz MGHFWBFEIRYVCM-UHFFFAOYSA-N 1 0 425.493 0.716 20 0 ICADRO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2=O)C1 ZINC001563962011 1073525238 /nfs/dbraw/zinc/52/52/38/1073525238.db2.gz FDFYRYACBAJEOM-BFYDXBDKSA-N 1 0 437.541 0.369 20 0 ICADRO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2=O)C1 ZINC001563962012 1073525331 /nfs/dbraw/zinc/52/53/31/1073525331.db2.gz FDFYRYACBAJEOM-HLLBOEOZSA-N 1 0 437.541 0.369 20 0 ICADRO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2=O)C1 ZINC001563962013 1073525607 /nfs/dbraw/zinc/52/56/07/1073525607.db2.gz FDFYRYACBAJEOM-INMHGKMJSA-N 1 0 437.541 0.369 20 0 ICADRO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2=O)C1 ZINC001563962014 1073525544 /nfs/dbraw/zinc/52/55/44/1073525544.db2.gz FDFYRYACBAJEOM-VYDXJSESSA-N 1 0 437.541 0.369 20 0 ICADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962688 1073526120 /nfs/dbraw/zinc/52/61/20/1073526120.db2.gz WVTRHWAYGFUPBE-MOPGFXCFSA-N 1 0 437.566 0.211 20 0 ICADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962689 1073526208 /nfs/dbraw/zinc/52/62/08/1073526208.db2.gz WVTRHWAYGFUPBE-OALUTQOASA-N 1 0 437.566 0.211 20 0 ICADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962690 1073526232 /nfs/dbraw/zinc/52/62/32/1073526232.db2.gz WVTRHWAYGFUPBE-RBUKOAKNSA-N 1 0 437.566 0.211 20 0 ICADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962691 1073526064 /nfs/dbraw/zinc/52/60/64/1073526064.db2.gz WVTRHWAYGFUPBE-RTBURBONSA-N 1 0 437.566 0.211 20 0 ICADRO CN(C)C(=O)N[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001563962850 1073526272 /nfs/dbraw/zinc/52/62/72/1073526272.db2.gz AVZUBYQQECFDOF-GOSISDBHSA-N 1 0 432.573 0.824 20 0 ICADRO CN(C)C(=O)N[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001563962851 1073526002 /nfs/dbraw/zinc/52/60/02/1073526002.db2.gz AVZUBYQQECFDOF-SFHVURJKSA-N 1 0 432.573 0.824 20 0 ICADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC001563963237 1073526314 /nfs/dbraw/zinc/52/63/14/1073526314.db2.gz MBLUQMOQAKNVRT-AWEZNQCLSA-N 1 0 431.534 0.129 20 0 ICADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC001563963238 1073526092 /nfs/dbraw/zinc/52/60/92/1073526092.db2.gz MBLUQMOQAKNVRT-CQSZACIVSA-N 1 0 431.534 0.129 20 0 ICADRO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCN1S(C)(=O)=O ZINC001563963922 1073526148 /nfs/dbraw/zinc/52/61/48/1073526148.db2.gz FJQAEGPPVDHEEH-QGZVFWFLSA-N 1 0 439.586 0.054 20 0 ICADRO COC(=O)c1cc(C2CN(C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)C2)[nH]n1 ZINC001563964025 1073526191 /nfs/dbraw/zinc/52/61/91/1073526191.db2.gz HTTQIYCFLKORER-UHFFFAOYSA-N 1 0 442.524 0.698 20 0 ICADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001563964740 1073526175 /nfs/dbraw/zinc/52/61/75/1073526175.db2.gz WNMULTMZZYMHKS-GOSISDBHSA-N 1 0 431.541 0.909 20 0 ICADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001563964742 1073526255 /nfs/dbraw/zinc/52/62/55/1073526255.db2.gz WNMULTMZZYMHKS-SFHVURJKSA-N 1 0 431.541 0.909 20 0 ICADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1nnc2n1CCNC2=O ZINC001563966609 1073526750 /nfs/dbraw/zinc/52/67/50/1073526750.db2.gz LFJWYHRQRVIJLZ-UHFFFAOYSA-N 1 0 446.943 0.686 20 0 ICADRO NS(=O)(=O)C1(CNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001563966828 1073527745 /nfs/dbraw/zinc/52/77/45/1073527745.db2.gz OOZJYNRZQSHKEB-UHFFFAOYSA-N 1 0 429.974 0.972 20 0 ICADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001563967065 1073527529 /nfs/dbraw/zinc/52/75/29/1073527529.db2.gz SRUNDFTVQKUUOZ-UHFFFAOYSA-N 1 0 440.566 0.306 20 0 ICADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C[C@@H]1C ZINC001563967218 1073527418 /nfs/dbraw/zinc/52/74/18/1073527418.db2.gz UZKBREAKBMKWMV-CALCHBBNSA-N 1 0 442.582 0.550 20 0 ICADRO NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001563968163 1073528241 /nfs/dbraw/zinc/52/82/41/1073528241.db2.gz AMRWWOOXTVTCCM-MOPGFXCFSA-N 1 0 430.553 0.524 20 0 ICADRO NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001563968164 1073528208 /nfs/dbraw/zinc/52/82/08/1073528208.db2.gz AMRWWOOXTVTCCM-OALUTQOASA-N 1 0 430.553 0.524 20 0 ICADRO NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001563968165 1073528535 /nfs/dbraw/zinc/52/85/35/1073528535.db2.gz AMRWWOOXTVTCCM-RBUKOAKNSA-N 1 0 430.553 0.524 20 0 ICADRO NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001563968166 1073528412 /nfs/dbraw/zinc/52/84/12/1073528412.db2.gz AMRWWOOXTVTCCM-RTBURBONSA-N 1 0 430.553 0.524 20 0 ICADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001563968471 1073528064 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20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001565627076 1071857960 /nfs/dbraw/zinc/85/79/60/1071857960.db2.gz XZUJYJJVITXYJZ-MRXNPFEDSA-N 1 0 434.603 0.457 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1 ZINC001565642516 1071860398 /nfs/dbraw/zinc/86/03/98/1071860398.db2.gz HTPSARQTRXIXOF-UHFFFAOYSA-N 1 0 426.539 0.307 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 ZINC001565642625 1071860733 /nfs/dbraw/zinc/86/07/33/1071860733.db2.gz LZPRPEXGZUZJIY-UHFFFAOYSA-N 1 0 434.537 0.816 20 0 ICADRO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001565642800 1071860514 /nfs/dbraw/zinc/86/05/14/1071860514.db2.gz QGJUKNRVVAMFTE-INIZCTEOSA-N 1 0 428.530 0.455 20 0 ICADRO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001565642801 1071860650 /nfs/dbraw/zinc/86/06/50/1071860650.db2.gz QGJUKNRVVAMFTE-MRXNPFEDSA-N 1 0 428.530 0.455 20 0 ICADRO CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001565648033 1071861445 /nfs/dbraw/zinc/86/14/45/1071861445.db2.gz QGWQXAIAEIEDGJ-UHFFFAOYSA-N 1 0 448.568 0.867 20 0 ICADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3)CC2)c1 ZINC001565652892 1071862191 /nfs/dbraw/zinc/86/21/91/1071862191.db2.gz WEAWBZOQBBKSOI-HNNXBMFYSA-N 1 0 434.518 0.712 20 0 ICADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S(=O)(=O)N[C@H](C)CO)cc3)CC2)c1 ZINC001565652893 1071861881 /nfs/dbraw/zinc/86/18/81/1071861881.db2.gz WEAWBZOQBBKSOI-OAHLLOKOSA-N 1 0 434.518 0.712 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)c(C(N)=O)c1C ZINC001565653198 1071861977 /nfs/dbraw/zinc/86/19/77/1071861977.db2.gz HZELCXDLWJGGCF-UHFFFAOYSA-N 1 0 430.553 0.732 20 0 ICADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565667059 1071864227 /nfs/dbraw/zinc/86/42/27/1071864227.db2.gz PDPGRGBXOKWGNG-GOSISDBHSA-N 1 0 440.953 0.965 20 0 ICADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565667060 1071864231 /nfs/dbraw/zinc/86/42/31/1071864231.db2.gz PDPGRGBXOKWGNG-SFHVURJKSA-N 1 0 440.953 0.965 20 0 ICADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001565668712 1071864063 /nfs/dbraw/zinc/86/40/63/1071864063.db2.gz PGTJKHZDGPEHQR-MOPGFXCFSA-N 1 0 430.530 0.995 20 0 ICADRO CN1C(=O)CO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H]1c1cccnc1 ZINC001565681630 1071864865 /nfs/dbraw/zinc/86/48/65/1071864865.db2.gz ARZRKNWMAYJNMT-RTWAWAEBSA-N 1 0 439.516 0.588 20 0 ICADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)oc2Cl)cc1 ZINC001565681812 1071864556 /nfs/dbraw/zinc/86/45/56/1071864556.db2.gz ICUKBKNNSCDOGL-UHFFFAOYSA-N 1 0 428.898 0.802 20 0 ICADRO CC1(C)C[N@@H+](C2(CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CCCCC2)CCO1 ZINC001565685552 1071864614 /nfs/dbraw/zinc/86/46/14/1071864614.db2.gz DFYBFODPIHFXAG-UHFFFAOYSA-N 1 0 435.525 0.368 20 0 ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001565695236 1071865382 /nfs/dbraw/zinc/86/53/82/1071865382.db2.gz JNCJQXREDLNEKP-HNNXBMFYSA-N 1 0 440.566 0.592 20 0 ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001565695237 1071865509 /nfs/dbraw/zinc/86/55/09/1071865509.db2.gz JNCJQXREDLNEKP-OAHLLOKOSA-N 1 0 440.566 0.592 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695967 1071866352 /nfs/dbraw/zinc/86/63/52/1071866352.db2.gz IOXUVVBUBFKLGQ-APWZRJJASA-N 1 0 438.594 0.586 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695968 1071866222 /nfs/dbraw/zinc/86/62/22/1071866222.db2.gz IOXUVVBUBFKLGQ-LPHOPBHVSA-N 1 0 438.594 0.586 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695969 1071866462 /nfs/dbraw/zinc/86/64/62/1071866462.db2.gz IOXUVVBUBFKLGQ-QFBILLFUSA-N 1 0 438.594 0.586 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695970 1071866487 /nfs/dbraw/zinc/86/64/87/1071866487.db2.gz IOXUVVBUBFKLGQ-VQIMIIECSA-N 1 0 438.594 0.586 20 0 ICADRO CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC(O)C1 ZINC001565701367 1071867154 /nfs/dbraw/zinc/86/71/54/1071867154.db2.gz CHHIWRSUIRIJMY-BQJIDLTASA-N 1 0 426.558 0.175 20 0 ICADRO CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC(O)C1 ZINC001565701368 1071866996 /nfs/dbraw/zinc/86/69/96/1071866996.db2.gz CHHIWRSUIRIJMY-ZGGTZUKQSA-N 1 0 426.558 0.175 20 0 ICADRO CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC001565701634 1071867096 /nfs/dbraw/zinc/86/70/96/1071867096.db2.gz JAONITLNQNLKDT-INIZCTEOSA-N 1 0 438.598 0.978 20 0 ICADRO CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC001565701635 1071866886 /nfs/dbraw/zinc/86/68/86/1071866886.db2.gz JAONITLNQNLKDT-MRXNPFEDSA-N 1 0 438.598 0.978 20 0 ICADRO O=C(CNS(=O)(=O)c1cccnc1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001565727584 1071869143 /nfs/dbraw/zinc/86/91/43/1071869143.db2.gz HPRLXNCHWGFCCK-UHFFFAOYSA-N 1 0 431.518 0.824 20 0 ICADRO CC[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC[N@@H+]1C ZINC001565728373 1071869092 /nfs/dbraw/zinc/86/90/92/1071869092.db2.gz NXJINSNAMOJDJV-DOTOQJQBSA-N 1 0 436.534 0.581 20 0 ICADRO CN1CCn2nc(C(=O)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc2S1(=O)=O ZINC001565756612 1071870427 /nfs/dbraw/zinc/87/04/27/1071870427.db2.gz ZWZNLOVKBGXPHM-UHFFFAOYSA-N 1 0 433.534 0.404 20 0 ICADRO C[NH+](C)CCn1cc(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC001565768659 1071871087 /nfs/dbraw/zinc/87/10/87/1071871087.db2.gz CGAFADFLJLEYCP-UHFFFAOYSA-N 1 0 425.477 0.873 20 0 ICADRO C[NH+](C)CCn1nccc1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001565768864 1071871009 /nfs/dbraw/zinc/87/10/09/1071871009.db2.gz JESFBABMSYIJMX-UHFFFAOYSA-N 1 0 425.477 0.873 20 0 ICADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565777471 1071872362 /nfs/dbraw/zinc/87/23/62/1071872362.db2.gz NPBVXNCUXPKADD-KRWDZBQOSA-N 1 0 432.974 0.075 20 0 ICADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565777472 1071872449 /nfs/dbraw/zinc/87/24/49/1071872449.db2.gz NPBVXNCUXPKADD-QGZVFWFLSA-N 1 0 432.974 0.075 20 0 ICADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001565783406 1071872914 /nfs/dbraw/zinc/87/29/14/1071872914.db2.gz XVSVVISQCWSCJF-HNNXBMFYSA-N 1 0 427.523 0.353 20 0 ICADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001565783407 1071873105 /nfs/dbraw/zinc/87/31/05/1071873105.db2.gz XVSVVISQCWSCJF-OAHLLOKOSA-N 1 0 427.523 0.353 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COc2ccc(Br)cn2)cn1 ZINC001565793356 1071872994 /nfs/dbraw/zinc/87/29/94/1071872994.db2.gz FFRBIBRFDOESDH-UHFFFAOYSA-N 1 0 425.287 0.736 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cn1 ZINC001565794125 1071873552 /nfs/dbraw/zinc/87/35/52/1071873552.db2.gz ZOLVERIQFVIRCO-UHFFFAOYSA-N 1 0 429.456 0.822 20 0 ICADRO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001565794137 1071873847 /nfs/dbraw/zinc/87/38/47/1071873847.db2.gz ZSMVCACZBMTDPM-UHFFFAOYSA-N 1 0 436.538 0.372 20 0 ICADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001565808207 1071873591 /nfs/dbraw/zinc/87/35/91/1071873591.db2.gz ABHRWXQIMROHMG-UHFFFAOYSA-N 1 0 435.550 0.811 20 0 ICADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 ZINC001565808242 1071873573 /nfs/dbraw/zinc/87/35/73/1071873573.db2.gz AZXIYZGBYMLNAB-UHFFFAOYSA-N 1 0 433.578 0.773 20 0 ICADRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001565833353 1071874349 /nfs/dbraw/zinc/87/43/49/1071874349.db2.gz KBGSZBILSAYOEB-BBRMVZONSA-N 1 0 447.399 0.820 20 0 ICADRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001565833354 1071875792 /nfs/dbraw/zinc/87/57/92/1071875792.db2.gz KBGSZBILSAYOEB-CJNGLKHVSA-N 1 0 447.399 0.820 20 0 ICADRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001565833355 1071875477 /nfs/dbraw/zinc/87/54/77/1071875477.db2.gz KBGSZBILSAYOEB-CZUORRHYSA-N 1 0 447.399 0.820 20 0 ICADRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001565833356 1071875306 /nfs/dbraw/zinc/87/53/06/1071875306.db2.gz KBGSZBILSAYOEB-XJKSGUPXSA-N 1 0 447.399 0.820 20 0 ICADRO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833676 1071875518 /nfs/dbraw/zinc/87/55/18/1071875518.db2.gz MFLMMCVESZXPOI-BXUZGUMPSA-N 1 0 433.372 0.769 20 0 ICADRO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833677 1071875716 /nfs/dbraw/zinc/87/57/16/1071875716.db2.gz MFLMMCVESZXPOI-FZMZJTMJSA-N 1 0 433.372 0.769 20 0 ICADRO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833678 1071875377 /nfs/dbraw/zinc/87/53/77/1071875377.db2.gz MFLMMCVESZXPOI-RISCZKNCSA-N 1 0 433.372 0.769 20 0 ICADRO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833679 1071875638 /nfs/dbraw/zinc/87/56/38/1071875638.db2.gz MFLMMCVESZXPOI-SMDDNHRTSA-N 1 0 433.372 0.769 20 0 ICADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[N@H+](C)CCN1C ZINC001565834012 1071875607 /nfs/dbraw/zinc/87/56/07/1071875607.db2.gz OPTANXMWSFRQFX-DOTOQJQBSA-N 1 0 440.566 0.267 20 0 ICADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[N@H+](C)CCN1C ZINC001565834013 1071875348 /nfs/dbraw/zinc/87/53/48/1071875348.db2.gz OPTANXMWSFRQFX-NVXWUHKLSA-N 1 0 440.566 0.267 20 0 ICADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1C[N@H+](C)CCN1C ZINC001565834014 1071875407 /nfs/dbraw/zinc/87/54/07/1071875407.db2.gz OPTANXMWSFRQFX-RDJZCZTQSA-N 1 0 440.566 0.267 20 0 ICADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1C[N@H+](C)CCN1C ZINC001565834015 1071875567 /nfs/dbraw/zinc/87/55/67/1071875567.db2.gz OPTANXMWSFRQFX-WBVHZDCISA-N 1 0 440.566 0.267 20 0 ICADRO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001565834390 1071875203 /nfs/dbraw/zinc/87/52/03/1071875203.db2.gz SBASMTCEZIAVNM-BXWFABGCSA-N 1 0 426.558 0.977 20 0 ICADRO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001565834391 1071875654 /nfs/dbraw/zinc/87/56/54/1071875654.db2.gz SBASMTCEZIAVNM-FCEWJHQRSA-N 1 0 426.558 0.977 20 0 ICADRO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001565834392 1071875751 /nfs/dbraw/zinc/87/57/51/1071875751.db2.gz SBASMTCEZIAVNM-FRQCXROJSA-N 1 0 426.558 0.977 20 0 ICADRO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001565834393 1071875458 /nfs/dbraw/zinc/87/54/58/1071875458.db2.gz SBASMTCEZIAVNM-TXPKVOOTSA-N 1 0 426.558 0.977 20 0 ICADRO COC(=O)[C@H](CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)NC(=O)OCc1ccccc1 ZINC001565834601 1071875433 /nfs/dbraw/zinc/87/54/33/1071875433.db2.gz XQIOEBVQUFLPLW-NEWSRXKRSA-N 1 0 434.537 0.985 20 0 ICADRO COC(=O)[C@H](CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)NC(=O)OCc1ccccc1 ZINC001565834602 1071876449 /nfs/dbraw/zinc/87/64/49/1071876449.db2.gz XQIOEBVQUFLPLW-NZSAHSFTSA-N 1 0 434.537 0.985 20 0 ICADRO COC(=O)[C@H](CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)NC(=O)OCc1ccccc1 ZINC001565834603 1071876679 /nfs/dbraw/zinc/87/66/79/1071876679.db2.gz XQIOEBVQUFLPLW-WDSOQIARSA-N 1 0 434.537 0.985 20 0 ICADRO COC(=O)[C@H](CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)NC(=O)OCc1ccccc1 ZINC001565834604 1071876600 /nfs/dbraw/zinc/87/66/00/1071876600.db2.gz XQIOEBVQUFLPLW-YTQUADARSA-N 1 0 434.537 0.985 20 0 ICADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001565838990 1071876534 /nfs/dbraw/zinc/87/65/34/1071876534.db2.gz DIOYDYJTWVUBDR-HNNXBMFYSA-N 1 0 429.564 0.313 20 0 ICADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001565838991 1071876372 /nfs/dbraw/zinc/87/63/72/1071876372.db2.gz DIOYDYJTWVUBDR-OAHLLOKOSA-N 1 0 429.564 0.313 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001565839043 1071876421 /nfs/dbraw/zinc/87/64/21/1071876421.db2.gz GCVPUBATTRNKDU-CYBMUJFWSA-N 1 0 428.942 0.662 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001565839044 1071876329 /nfs/dbraw/zinc/87/63/29/1071876329.db2.gz GCVPUBATTRNKDU-ZDUSSCGKSA-N 1 0 428.942 0.662 20 0 ICADRO NS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC001565908865 1071877938 /nfs/dbraw/zinc/87/79/38/1071877938.db2.gz JYZBTMAFCBCMFQ-HNNXBMFYSA-N 1 0 428.530 0.701 20 0 ICADRO NS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC001565908866 1071878064 /nfs/dbraw/zinc/87/80/64/1071878064.db2.gz JYZBTMAFCBCMFQ-OAHLLOKOSA-N 1 0 428.530 0.701 20 0 ICADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)CC1 ZINC001565917214 1071878134 /nfs/dbraw/zinc/87/81/34/1071878134.db2.gz DSLNVVVKVDWGLC-UHFFFAOYSA-N 1 0 447.584 0.750 20 0 ICADRO 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20 0 ICADRO C[NH+](C)CCCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)[C@H]1CCS(=O)(=O)C1 ZINC001566224883 1071894674 /nfs/dbraw/zinc/89/46/74/1071894674.db2.gz CQXNKJMRCKRLGZ-JTQLQIEISA-N 1 0 427.932 0.161 20 0 ICADRO C[NH+](C)CCCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC001566224884 1071894650 /nfs/dbraw/zinc/89/46/50/1071894650.db2.gz CQXNKJMRCKRLGZ-SNVBAGLBSA-N 1 0 427.932 0.161 20 0 ICADRO C[NH+](C)CCCN(C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001566225165 1071894480 /nfs/dbraw/zinc/89/44/80/1071894480.db2.gz KPRIJKKAFJRQGC-ILXRZTDVSA-N 1 0 430.489 0.938 20 0 ICADRO C[NH+](C)CCCN(C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001566225166 1071894592 /nfs/dbraw/zinc/89/45/92/1071894592.db2.gz KPRIJKKAFJRQGC-KFWWJZLASA-N 1 0 430.489 0.938 20 0 ICADRO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001566225724 1071894698 /nfs/dbraw/zinc/89/46/98/1071894698.db2.gz ZLZLBMMZQKPOMC-INIZCTEOSA-N 1 0 445.607 0.826 20 0 ICADRO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001566225725 1071894607 /nfs/dbraw/zinc/89/46/07/1071894607.db2.gz ZLZLBMMZQKPOMC-MRXNPFEDSA-N 1 0 445.607 0.826 20 0 ICADRO NC(=O)c1cn(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001566267501 1071897871 /nfs/dbraw/zinc/89/78/71/1071897871.db2.gz CBDMNFDDJIMRAC-HKUYNNGSSA-N 1 0 439.516 0.951 20 0 ICADRO NC(=O)c1cn(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001566267502 1071897962 /nfs/dbraw/zinc/89/79/62/1071897962.db2.gz CBDMNFDDJIMRAC-IEBWSBKVSA-N 1 0 439.516 0.951 20 0 ICADRO NC(=O)c1cn(CCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001566267503 1071897823 /nfs/dbraw/zinc/89/78/23/1071897823.db2.gz CBDMNFDDJIMRAC-MJGOQNOKSA-N 1 0 439.516 0.951 20 0 ICADRO NC(=O)c1cn(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001566267504 1071897748 /nfs/dbraw/zinc/89/77/48/1071897748.db2.gz CBDMNFDDJIMRAC-PKOBYXMFSA-N 1 0 439.516 0.951 20 0 ICADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001566283687 1071899122 /nfs/dbraw/zinc/89/91/22/1071899122.db2.gz HMNRJUOYRVFVEQ-UHFFFAOYSA-N 1 0 434.522 0.419 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2)cn1C ZINC001566296615 1071899943 /nfs/dbraw/zinc/89/99/43/1071899943.db2.gz WRTWDDWTMGSASK-MOPGFXCFSA-N 1 0 431.562 0.907 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001566317482 1071902046 /nfs/dbraw/zinc/90/20/46/1071902046.db2.gz ZUNLGHPKQXZEHI-AEFFLSMTSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001566317483 1071902012 /nfs/dbraw/zinc/90/20/12/1071902012.db2.gz ZUNLGHPKQXZEHI-FUHWJXTLSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001566317484 1071901981 /nfs/dbraw/zinc/90/19/81/1071901981.db2.gz ZUNLGHPKQXZEHI-SJLPKXTDSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001566317485 1071902085 /nfs/dbraw/zinc/90/20/85/1071902085.db2.gz ZUNLGHPKQXZEHI-WMZOPIPTSA-N 1 0 425.551 0.673 20 0 ICADRO CC(C)(C)OC(=O)C1(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CCS(=O)(=O)CC1 ZINC001566325940 1071902016 /nfs/dbraw/zinc/90/20/16/1071902016.db2.gz VTKNFRJTIFHUHI-INIZCTEOSA-N 1 0 432.583 0.876 20 0 ICADRO CC(C)(C)OC(=O)C1(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CCS(=O)(=O)CC1 ZINC001566325941 1071901951 /nfs/dbraw/zinc/90/19/51/1071901951.db2.gz VTKNFRJTIFHUHI-MRXNPFEDSA-N 1 0 432.583 0.876 20 0 ICADRO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)C1 ZINC001566337697 1071902868 /nfs/dbraw/zinc/90/28/68/1071902868.db2.gz AVAWZOBQJNIOBA-PBHICJAKSA-N 1 0 448.301 0.994 20 0 ICADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)C1 ZINC001566337698 1071903126 /nfs/dbraw/zinc/90/31/26/1071903126.db2.gz AVAWZOBQJNIOBA-RHSMWYFYSA-N 1 0 448.301 0.994 20 0 ICADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H](O)COc2ccc(I)cc2)C1 ZINC001566337699 1071903002 /nfs/dbraw/zinc/90/30/02/1071903002.db2.gz AVAWZOBQJNIOBA-WMLDXEAASA-N 1 0 448.301 0.994 20 0 ICADRO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H](O)COc2ccc(I)cc2)C1 ZINC001566337700 1071902955 /nfs/dbraw/zinc/90/29/55/1071902955.db2.gz AVAWZOBQJNIOBA-YOEHRIQHSA-N 1 0 448.301 0.994 20 0 ICADRO COCCCS(=O)(=O)N1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001566344938 1071903677 /nfs/dbraw/zinc/90/36/77/1071903677.db2.gz LBQRTKLODDOURE-NRFANRHFSA-N 1 0 439.578 0.524 20 0 ICADRO COCCCS(=O)(=O)N1CCN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001566344939 1071903593 /nfs/dbraw/zinc/90/35/93/1071903593.db2.gz LBQRTKLODDOURE-OAQYLSRUSA-N 1 0 439.578 0.524 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001566399953 1071905147 /nfs/dbraw/zinc/90/51/47/1071905147.db2.gz AAMZNWRVWVVBMZ-SLFFLAALSA-N 1 0 448.539 0.613 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001566399954 1071905548 /nfs/dbraw/zinc/90/55/48/1071905548.db2.gz AAMZNWRVWVVBMZ-UFYCRDLUSA-N 1 0 448.539 0.613 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001566399955 1071905627 /nfs/dbraw/zinc/90/56/27/1071905627.db2.gz AAMZNWRVWVVBMZ-XUVXKRRUSA-N 1 0 448.539 0.613 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001566399956 1071905596 /nfs/dbraw/zinc/90/55/96/1071905596.db2.gz AAMZNWRVWVVBMZ-ZCNNSNEGSA-N 1 0 448.539 0.613 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC001566418506 1071906099 /nfs/dbraw/zinc/90/60/99/1071906099.db2.gz XLIMAJCNBXLMJK-HLIPFELVSA-N 1 0 438.594 0.444 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC001566418507 1071906024 /nfs/dbraw/zinc/90/60/24/1071906024.db2.gz XLIMAJCNBXLMJK-MBOZVWFJSA-N 1 0 438.594 0.444 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC001566418508 1071906115 /nfs/dbraw/zinc/90/61/15/1071906115.db2.gz XLIMAJCNBXLMJK-QKLQHJQFSA-N 1 0 438.594 0.444 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC001566418509 1071906072 /nfs/dbraw/zinc/90/60/72/1071906072.db2.gz XLIMAJCNBXLMJK-SQGPQFPESA-N 1 0 438.594 0.444 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC001566434218 1071907032 /nfs/dbraw/zinc/90/70/32/1071907032.db2.gz JUDZVNVVWKDJEU-AWEZNQCLSA-N 1 0 442.925 0.599 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001566434340 1071907068 /nfs/dbraw/zinc/90/70/68/1071907068.db2.gz NBOFDNMHNBPJKX-SLFFLAALSA-N 1 0 439.516 0.363 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001566434341 1071907123 /nfs/dbraw/zinc/90/71/23/1071907123.db2.gz NBOFDNMHNBPJKX-UFYCRDLUSA-N 1 0 439.516 0.363 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001566434342 1071907101 /nfs/dbraw/zinc/90/71/01/1071907101.db2.gz NBOFDNMHNBPJKX-XUVXKRRUSA-N 1 0 439.516 0.363 20 0 ICADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001566434343 1071907015 /nfs/dbraw/zinc/90/70/15/1071907015.db2.gz NBOFDNMHNBPJKX-ZCNNSNEGSA-N 1 0 439.516 0.363 20 0 ICADRO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n2ccccc12 ZINC001566447269 1071908027 /nfs/dbraw/zinc/90/80/27/1071908027.db2.gz BLXJEASTMJUSAU-DLBZAZTESA-N 1 0 443.529 0.595 20 0 ICADRO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n2ccccc12 ZINC001566447270 1071907986 /nfs/dbraw/zinc/90/79/86/1071907986.db2.gz BLXJEASTMJUSAU-IAGOWNOFSA-N 1 0 443.529 0.595 20 0 ICADRO NS(=O)(=O)c1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n2ccccc12 ZINC001566447271 1071908174 /nfs/dbraw/zinc/90/81/74/1071908174.db2.gz BLXJEASTMJUSAU-IRXDYDNUSA-N 1 0 443.529 0.595 20 0 ICADRO NS(=O)(=O)c1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n2ccccc12 ZINC001566447272 1071908112 /nfs/dbraw/zinc/90/81/12/1071908112.db2.gz BLXJEASTMJUSAU-SJORKVTESA-N 1 0 443.529 0.595 20 0 ICADRO CN1CCn2ncc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)c2S1(=O)=O ZINC001566448312 1071908038 /nfs/dbraw/zinc/90/80/38/1071908038.db2.gz RZBQDDWAGIURHO-AEFFLSMTSA-N 1 0 433.534 0.130 20 0 ICADRO CN1CCn2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)c2S1(=O)=O ZINC001566448313 1071908157 /nfs/dbraw/zinc/90/81/57/1071908157.db2.gz RZBQDDWAGIURHO-FUHWJXTLSA-N 1 0 433.534 0.130 20 0 ICADRO CN1CCn2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)c2S1(=O)=O ZINC001566448314 1071908144 /nfs/dbraw/zinc/90/81/44/1071908144.db2.gz RZBQDDWAGIURHO-SJLPKXTDSA-N 1 0 433.534 0.130 20 0 ICADRO CN1CCn2ncc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)c2S1(=O)=O ZINC001566448315 1071908055 /nfs/dbraw/zinc/90/80/55/1071908055.db2.gz RZBQDDWAGIURHO-WMZOPIPTSA-N 1 0 433.534 0.130 20 0 ICADRO CC[NH+](CC)CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001566480556 1071908655 /nfs/dbraw/zinc/90/86/55/1071908655.db2.gz JEKLXEMHUORVEK-BMGDILEWSA-N 1 0 438.550 0.315 20 0 ICADRO CC[NH+](CC)CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001566480560 1071908623 /nfs/dbraw/zinc/90/86/23/1071908623.db2.gz JEKLXEMHUORVEK-FHLIZLRMSA-N 1 0 438.550 0.315 20 0 ICADRO CC[NH+](CC)CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001566480561 1071908696 /nfs/dbraw/zinc/90/86/96/1071908696.db2.gz JEKLXEMHUORVEK-JCGIZDLHSA-N 1 0 438.550 0.315 20 0 ICADRO CC[NH+](CC)CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001566480562 1071909186 /nfs/dbraw/zinc/90/91/86/1071909186.db2.gz JEKLXEMHUORVEK-ZTFGCOKTSA-N 1 0 438.550 0.315 20 0 ICADRO CC[NH+](CC)CCN(C(=O)CNc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001566481037 1071909117 /nfs/dbraw/zinc/90/91/17/1071909117.db2.gz PTLOFHYYAJFGIN-KRWDZBQOSA-N 1 0 445.607 0.860 20 0 ICADRO CC[NH+](CC)CCN(C(=O)CNc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001566481038 1071909240 /nfs/dbraw/zinc/90/92/40/1071909240.db2.gz PTLOFHYYAJFGIN-QGZVFWFLSA-N 1 0 445.607 0.860 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)cn3)[C@@H](O)C(=O)N2C)cn1 ZINC001566538526 1071910462 /nfs/dbraw/zinc/91/04/62/1071910462.db2.gz DCPPCGMZCBEXPE-JCHJZTRSSA-N 1 0 427.509 0.084 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)cn3)[C@@H](O)C(=O)N2C)cn1 ZINC001566538527 1071910549 /nfs/dbraw/zinc/91/05/49/1071910549.db2.gz DCPPCGMZCBEXPE-NXWXRZEISA-N 1 0 427.509 0.084 20 0 ICADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC001566541407 1071910631 /nfs/dbraw/zinc/91/06/31/1071910631.db2.gz DAJHIOXNOAFRNL-NRFANRHFSA-N 1 0 434.556 0.862 20 0 ICADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3nnc(C(C)(C)S(C)(=O)=O)o3)CC2)CC1 ZINC001566541861 1071910532 /nfs/dbraw/zinc/91/05/32/1071910532.db2.gz MFFZRDXQJVBIGK-UHFFFAOYSA-N 1 0 427.571 0.980 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673173 1071912509 /nfs/dbraw/zinc/91/25/09/1071912509.db2.gz AXDNVFAORNDYQG-DLBZAZTESA-N 1 0 432.525 0.967 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673174 1071912457 /nfs/dbraw/zinc/91/24/57/1071912457.db2.gz AXDNVFAORNDYQG-IAGOWNOFSA-N 1 0 432.525 0.967 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673175 1071912593 /nfs/dbraw/zinc/91/25/93/1071912593.db2.gz AXDNVFAORNDYQG-IRXDYDNUSA-N 1 0 432.525 0.967 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673176 1071912681 /nfs/dbraw/zinc/91/26/81/1071912681.db2.gz AXDNVFAORNDYQG-SJORKVTESA-N 1 0 432.525 0.967 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)CC2=O)cc1 ZINC001566673370 1071912482 /nfs/dbraw/zinc/91/24/82/1071912482.db2.gz GYXAQICEBXCZLQ-FXAWDEMLSA-N 1 0 441.532 0.763 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)CC2=O)cc1 ZINC001566673371 1071912615 /nfs/dbraw/zinc/91/26/15/1071912615.db2.gz GYXAQICEBXCZLQ-PXNSSMCTSA-N 1 0 441.532 0.763 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)CC2=O)cc1 ZINC001566673372 1071912657 /nfs/dbraw/zinc/91/26/57/1071912657.db2.gz GYXAQICEBXCZLQ-XLIONFOSSA-N 1 0 441.532 0.763 20 0 ICADRO CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)CC2=O)cc1 ZINC001566673373 1071912544 /nfs/dbraw/zinc/91/25/44/1071912544.db2.gz GYXAQICEBXCZLQ-YLJYHZDGSA-N 1 0 441.532 0.763 20 0 ICADRO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673394 1071912497 /nfs/dbraw/zinc/91/24/97/1071912497.db2.gz HPRKZPKGVNTLEV-BBWFWOEESA-N 1 0 426.558 0.615 20 0 ICADRO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673395 1071912605 /nfs/dbraw/zinc/91/26/05/1071912605.db2.gz HPRKZPKGVNTLEV-GVDBMIGSSA-N 1 0 426.558 0.615 20 0 ICADRO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673396 1071912667 /nfs/dbraw/zinc/91/26/67/1071912667.db2.gz HPRKZPKGVNTLEV-ULQDDVLXSA-N 1 0 426.558 0.615 20 0 ICADRO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673397 1071912531 /nfs/dbraw/zinc/91/25/31/1071912531.db2.gz HPRKZPKGVNTLEV-YESZJQIVSA-N 1 0 426.558 0.615 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001566673911 1071912630 /nfs/dbraw/zinc/91/26/30/1071912630.db2.gz WZVUYIRKTOKFQN-FQEVSTJZSA-N 1 0 448.589 0.924 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001566673912 1071912581 /nfs/dbraw/zinc/91/25/81/1071912581.db2.gz WZVUYIRKTOKFQN-HXUWFJFHSA-N 1 0 448.589 0.924 20 0 ICADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001566698226 1071913087 /nfs/dbraw/zinc/91/30/87/1071913087.db2.gz CGUHFRBLFSEWAM-AWEZNQCLSA-N 1 0 430.250 0.309 20 0 ICADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001566698227 1071913205 /nfs/dbraw/zinc/91/32/05/1071913205.db2.gz CGUHFRBLFSEWAM-CQSZACIVSA-N 1 0 430.250 0.309 20 0 ICADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC001566699050 1071913105 /nfs/dbraw/zinc/91/31/05/1071913105.db2.gz ZYPYTGKPALTHJH-KBXCAEBGSA-N 1 0 433.596 0.716 20 0 ICADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001566699051 1071913633 /nfs/dbraw/zinc/91/36/33/1071913633.db2.gz ZYPYTGKPALTHJH-KDOFPFPSSA-N 1 0 433.596 0.716 20 0 ICADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC001566699052 1071913674 /nfs/dbraw/zinc/91/36/74/1071913674.db2.gz ZYPYTGKPALTHJH-KSSFIOAISA-N 1 0 433.596 0.716 20 0 ICADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001566699053 1071913579 /nfs/dbraw/zinc/91/35/79/1071913579.db2.gz ZYPYTGKPALTHJH-RDTXWAMCSA-N 1 0 433.596 0.716 20 0 ICADRO O=C(Cc1ccccc1S(=O)(=O)C(F)F)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001566769353 1071915195 /nfs/dbraw/zinc/91/51/95/1071915195.db2.gz CTWUGSKVCISHQL-UHFFFAOYSA-N 1 0 432.489 0.911 20 0 ICADRO Cn1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(I)n1 ZINC001566769435 1071915217 /nfs/dbraw/zinc/91/52/17/1071915217.db2.gz GNLOROBOBHYHGB-UHFFFAOYSA-N 1 0 434.278 0.324 20 0 ICADRO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001566771191 1071915137 /nfs/dbraw/zinc/91/51/37/1071915137.db2.gz GHMKSCOHKVLGSH-NRFANRHFSA-N 1 0 427.542 0.434 20 0 ICADRO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001566771192 1071915089 /nfs/dbraw/zinc/91/50/89/1071915089.db2.gz GHMKSCOHKVLGSH-OAQYLSRUSA-N 1 0 427.542 0.434 20 0 ICADRO NS(=O)(=O)c1nc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)n2ccccc12 ZINC001566784091 1071915655 /nfs/dbraw/zinc/91/56/55/1071915655.db2.gz ADZASWJAMZBLOG-UHFFFAOYSA-N 1 0 435.550 0.946 20 0 ICADRO CN1CCn2ncc(C(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)c2S1(=O)=O ZINC001566974832 1071918737 /nfs/dbraw/zinc/91/87/37/1071918737.db2.gz HDDAMEFREVDGOT-UHFFFAOYSA-N 1 0 447.561 0.964 20 0 ICADRO C[NH+](C)CCOCCNC(=O)c1cc(I)ccc1-n1cnnn1 ZINC001567049912 1071920476 /nfs/dbraw/zinc/92/04/76/1071920476.db2.gz SXLSGGUFCQKROB-UHFFFAOYSA-N 1 0 430.250 0.575 20 0 ICADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001567078123 1071921014 /nfs/dbraw/zinc/92/10/14/1071921014.db2.gz KTIVUCNPJPWYJJ-SFHVURJKSA-N 1 0 428.574 0.957 20 0 ICADRO CN1C[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)N(C(=O)OC(C)(C)C)CC1=O ZINC001567095579 1071921479 /nfs/dbraw/zinc/92/14/79/1071921479.db2.gz QBPCPZQWIQHXMU-INIZCTEOSA-N 1 0 435.525 0.716 20 0 ICADRO CN1C[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)N(C(=O)OC(C)(C)C)CC1=O ZINC001567095580 1071921508 /nfs/dbraw/zinc/92/15/08/1071921508.db2.gz QBPCPZQWIQHXMU-MRXNPFEDSA-N 1 0 435.525 0.716 20 0 ICADRO CC(C)C[C@H](NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)NCC[NH+](C)C ZINC001567178610 1071921879 /nfs/dbraw/zinc/92/18/79/1071921879.db2.gz ARFOSUAMIRNZOO-CABCVRRESA-N 1 0 427.546 0.865 20 0 ICADRO CC(C)C[C@H](NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)NCC[NH+](C)C ZINC001567178611 1071922398 /nfs/dbraw/zinc/92/23/98/1071922398.db2.gz ARFOSUAMIRNZOO-GJZGRUSLSA-N 1 0 427.546 0.865 20 0 ICADRO CC(C)C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)NCC[NH+](C)C ZINC001567178653 1071922386 /nfs/dbraw/zinc/92/23/86/1071922386.db2.gz CFPVALDBCMOLOU-DLBZAZTESA-N 1 0 427.590 0.746 20 0 ICADRO CC(C)C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)NCC[NH+](C)C ZINC001567178654 1071922407 /nfs/dbraw/zinc/92/24/07/1071922407.db2.gz CFPVALDBCMOLOU-IRXDYDNUSA-N 1 0 427.590 0.746 20 0 ICADRO CC(C)C[C@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)NCC[NH+](C)C ZINC001567179715 1071922437 /nfs/dbraw/zinc/92/24/37/1071922437.db2.gz WDENJCPYENQKCT-HRAATJIYSA-N 1 0 428.574 0.957 20 0 ICADRO CC(C)C[C@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)NCC[NH+](C)C ZINC001567179716 1071922391 /nfs/dbraw/zinc/92/23/91/1071922391.db2.gz WDENJCPYENQKCT-KKSFZXQISA-N 1 0 428.574 0.957 20 0 ICADRO C[NH+]1CCC(CCO)(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001567187141 1071922367 /nfs/dbraw/zinc/92/23/67/1071922367.db2.gz DCPHQTNOLIMRQF-KRWDZBQOSA-N 1 0 425.551 0.721 20 0 ICADRO C[NH+]1CCC(CCO)(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC001567187142 1071922316 /nfs/dbraw/zinc/92/23/16/1071922316.db2.gz DCPHQTNOLIMRQF-QGZVFWFLSA-N 1 0 425.551 0.721 20 0 ICADRO C[NH+]1CCC(CCO)(NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001567187177 1071922276 /nfs/dbraw/zinc/92/22/76/1071922276.db2.gz FAFDXVBAOISPOQ-INIZCTEOSA-N 1 0 426.558 0.855 20 0 ICADRO C[NH+]1CCC(CCO)(NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001567187178 1071922801 /nfs/dbraw/zinc/92/28/01/1071922801.db2.gz FAFDXVBAOISPOQ-MRXNPFEDSA-N 1 0 426.558 0.855 20 0 ICADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC001567187781 1071923020 /nfs/dbraw/zinc/92/30/20/1071923020.db2.gz RLMCRWLLASMKAE-GOSISDBHSA-N 1 0 429.521 0.499 20 0 ICADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC001567187782 1071922968 /nfs/dbraw/zinc/92/29/68/1071922968.db2.gz RLMCRWLLASMKAE-SFHVURJKSA-N 1 0 429.521 0.499 20 0 ICADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)CC1 ZINC001567207765 1071922846 /nfs/dbraw/zinc/92/28/46/1071922846.db2.gz YNJGCQPAIWNBIE-YADHBBJMSA-N 1 0 429.565 0.997 20 0 ICADRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001567242373 1071922980 /nfs/dbraw/zinc/92/29/80/1071922980.db2.gz AKUVMRKIAKPIGT-DLBZAZTESA-N 1 0 430.461 0.932 20 0 ICADRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001567242374 1071922936 /nfs/dbraw/zinc/92/29/36/1071922936.db2.gz AKUVMRKIAKPIGT-IRXDYDNUSA-N 1 0 430.461 0.932 20 0 ICADRO C[N@@H+]1CC[C@](O)(CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001567317408 1071925147 /nfs/dbraw/zinc/92/51/47/1071925147.db2.gz MIZLMUJBBURYMS-FQEVSTJZSA-N 1 0 430.546 0.931 20 0 ICADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001567317409 1071925042 /nfs/dbraw/zinc/92/50/42/1071925042.db2.gz MIZLMUJBBURYMS-HXUWFJFHSA-N 1 0 430.546 0.931 20 0 ICADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001567317454 1071925123 /nfs/dbraw/zinc/92/51/23/1071925123.db2.gz NEQZBYPSDDDPNJ-LEWJYISDSA-N 1 0 443.541 0.517 20 0 ICADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001567317455 1071925056 /nfs/dbraw/zinc/92/50/56/1071925056.db2.gz NEQZBYPSDDDPNJ-NHCUHLMSSA-N 1 0 443.541 0.517 20 0 ICADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001567317456 1071925010 /nfs/dbraw/zinc/92/50/10/1071925010.db2.gz NEQZBYPSDDDPNJ-RTWAWAEBSA-N 1 0 443.541 0.517 20 0 ICADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001567317457 1071925696 /nfs/dbraw/zinc/92/56/96/1071925696.db2.gz NEQZBYPSDDDPNJ-SFTDATJTSA-N 1 0 443.541 0.517 20 0 ICADRO CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)CC1 ZINC001567408054 1071926140 /nfs/dbraw/zinc/92/61/40/1071926140.db2.gz AMXPBGSCIKNOFX-RTWAWAEBSA-N 1 0 429.565 0.856 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccccc2)c1 ZINC001567435724 1071926588 /nfs/dbraw/zinc/92/65/88/1071926588.db2.gz AAQZXMUTQZIHCZ-UHFFFAOYSA-N 1 0 440.547 0.444 20 0 ICADRO COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)O1 ZINC001567435980 1071926567 /nfs/dbraw/zinc/92/65/67/1071926567.db2.gz IGAZGYONVCUNPM-DOTOQJQBSA-N 1 0 427.523 0.966 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccnc(N3CCOCC3)n2)c1 ZINC001567436176 1071926652 /nfs/dbraw/zinc/92/66/52/1071926652.db2.gz NCIKLJWNRANBMF-UHFFFAOYSA-N 1 0 434.522 0.405 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(N3CCOCC3)ncn2)c1 ZINC001567436367 1071926557 /nfs/dbraw/zinc/92/65/57/1071926557.db2.gz SHYRHYBNVIDHQF-UHFFFAOYSA-N 1 0 434.522 0.405 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ncccc2S(C)(=O)=O)c1 ZINC001567436506 1071926600 /nfs/dbraw/zinc/92/66/00/1071926600.db2.gz XAOYBABAHCLTQL-UHFFFAOYSA-N 1 0 426.520 0.577 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2sccc2S(N)(=O)=O)c1 ZINC001567436588 1071926508 /nfs/dbraw/zinc/92/65/08/1071926508.db2.gz ZTOIXWIWZCJRSY-UHFFFAOYSA-N 1 0 432.549 0.488 20 0 ICADRO C[C@@H](CCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC001567493328 1071927773 /nfs/dbraw/zinc/92/77/73/1071927773.db2.gz QYZPWRRHHKROOB-HNNXBMFYSA-N 1 0 431.580 0.749 20 0 ICADRO C[C@H](CCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC001567493329 1071927738 /nfs/dbraw/zinc/92/77/38/1071927738.db2.gz QYZPWRRHHKROOB-OAHLLOKOSA-N 1 0 431.580 0.749 20 0 ICADRO CC(C)NS(=O)(=O)NCCNC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001567547759 1071929352 /nfs/dbraw/zinc/92/93/52/1071929352.db2.gz OKBKLXQRFIXDAR-UHFFFAOYSA-N 1 0 431.990 0.801 20 0 ICADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 ZINC001567567331 1071929694 /nfs/dbraw/zinc/92/96/94/1071929694.db2.gz ACIWWXWYHVPJMF-UHFFFAOYSA-N 1 0 435.550 0.816 20 0 ICADRO O=C(N[C@@H](CO)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(F)n1 ZINC001567597386 1071930649 /nfs/dbraw/zinc/93/06/49/1071930649.db2.gz YVWKVACAAZRJNI-HKUYNNGSSA-N 1 0 430.480 0.719 20 0 ICADRO O=C(N[C@@H](CO)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(F)n1 ZINC001567597387 1071930783 /nfs/dbraw/zinc/93/07/83/1071930783.db2.gz YVWKVACAAZRJNI-MJGOQNOKSA-N 1 0 430.480 0.719 20 0 ICADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001567670808 1071932271 /nfs/dbraw/zinc/93/22/71/1071932271.db2.gz GFWUEUQPCCTYJI-DLBZAZTESA-N 1 0 428.541 0.661 20 0 ICADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001567670809 1071932320 /nfs/dbraw/zinc/93/23/20/1071932320.db2.gz GFWUEUQPCCTYJI-IAGOWNOFSA-N 1 0 428.541 0.661 20 0 ICADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)[C@H](c2cnn(C)c2)C1 ZINC001567670810 1071932303 /nfs/dbraw/zinc/93/23/03/1071932303.db2.gz GFWUEUQPCCTYJI-IRXDYDNUSA-N 1 0 428.541 0.661 20 0 ICADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)[C@H](c2cnn(C)c2)C1 ZINC001567670811 1071932277 /nfs/dbraw/zinc/93/22/77/1071932277.db2.gz GFWUEUQPCCTYJI-SJORKVTESA-N 1 0 428.541 0.661 20 0 ICADRO CCC[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)N(C)C)c(OCC)c2)CC1 ZINC001567686736 1071932800 /nfs/dbraw/zinc/93/28/00/1071932800.db2.gz SHFWMPFDANCEID-UHFFFAOYSA-N 1 0 427.571 0.952 20 0 ICADRO CNS(=O)(=O)CCNC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001567740218 1071933176 /nfs/dbraw/zinc/93/31/76/1071933176.db2.gz VDKRAULOBHDPAP-INIZCTEOSA-N 1 0 428.555 0.677 20 0 ICADRO CNS(=O)(=O)CCNC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001567740219 1071933616 /nfs/dbraw/zinc/93/36/16/1071933616.db2.gz VDKRAULOBHDPAP-MRXNPFEDSA-N 1 0 428.555 0.677 20 0 ICADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001567741796 1071933604 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/nfs/dbraw/zinc/93/75/10/1071937510.db2.gz JEMYVFIGHMDPNV-HKUYNNGSSA-N 1 0 427.567 0.364 20 0 ICADRO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929564 1071937542 /nfs/dbraw/zinc/93/75/42/1071937542.db2.gz JEMYVFIGHMDPNV-IEBWSBKVSA-N 1 0 427.567 0.364 20 0 ICADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929565 1071937625 /nfs/dbraw/zinc/93/76/25/1071937625.db2.gz JEMYVFIGHMDPNV-MJGOQNOKSA-N 1 0 427.567 0.364 20 0 ICADRO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929566 1071937674 /nfs/dbraw/zinc/93/76/74/1071937674.db2.gz JEMYVFIGHMDPNV-PKOBYXMFSA-N 1 0 427.567 0.364 20 0 ICADRO COC(=O)C1(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CCS(=O)(=O)CC1 ZINC001568088566 1071941203 /nfs/dbraw/zinc/94/12/03/1071941203.db2.gz STESXHHWCFYHKE-UHFFFAOYSA-N 1 0 438.506 0.154 20 0 ICADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001568132627 1071943262 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/nfs/dbraw/zinc/94/58/33/1071945833.db2.gz KLRCYHXSZWHWND-XMTFNYHQSA-N 1 0 431.599 0.305 20 0 ICADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001568267689 1071945851 /nfs/dbraw/zinc/94/58/51/1071945851.db2.gz PRPBDABNZLHLOF-BQFCYCMXSA-N 1 0 447.985 0.673 20 0 ICADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001568267690 1071945821 /nfs/dbraw/zinc/94/58/21/1071945821.db2.gz PRPBDABNZLHLOF-JZXOWHBKSA-N 1 0 447.985 0.673 20 0 ICADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001568267691 1071945922 /nfs/dbraw/zinc/94/59/22/1071945922.db2.gz PRPBDABNZLHLOF-NUJGCVRESA-N 1 0 447.985 0.673 20 0 ICADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001568267692 1071945951 /nfs/dbraw/zinc/94/59/51/1071945951.db2.gz PRPBDABNZLHLOF-RYRKJORJSA-N 1 0 447.985 0.673 20 0 ICADRO CN1CC[N@H+](C)CC(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)C1 ZINC001568309998 1071946489 /nfs/dbraw/zinc/94/64/89/1071946489.db2.gz SXQATKGHNBYMAH-UHFFFAOYSA-N 1 0 434.342 0.938 20 0 ICADRO C[NH+]1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC001568378507 1071946910 /nfs/dbraw/zinc/94/69/10/1071946910.db2.gz HQPVDECLFOZYCE-UHFFFAOYSA-N 1 0 431.356 0.186 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001568378649 1071946919 /nfs/dbraw/zinc/94/69/19/1071946919.db2.gz IUNUVBAHWGFQJJ-BVUBDWEXSA-N 1 0 428.455 0.430 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001568378650 1071946924 /nfs/dbraw/zinc/94/69/24/1071946924.db2.gz IUNUVBAHWGFQJJ-OEAJRASXSA-N 1 0 428.455 0.430 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001568378651 1071946826 /nfs/dbraw/zinc/94/68/26/1071946826.db2.gz IUNUVBAHWGFQJJ-SLBVQIDZSA-N 1 0 428.455 0.430 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001568378652 1071946890 /nfs/dbraw/zinc/94/68/90/1071946890.db2.gz IUNUVBAHWGFQJJ-SYAUCNOPSA-N 1 0 428.455 0.430 20 0 ICADRO C[NH+]1CCN(C2CN(C(=O)c3cn(CCOc4ccc(C=O)cc4Cl)nn3)C2)CC1 ZINC001568379125 1071946935 /nfs/dbraw/zinc/94/69/35/1071946935.db2.gz URAQTQWTAKHTTA-UHFFFAOYSA-N 1 0 432.912 0.895 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001568396000 1071947350 /nfs/dbraw/zinc/94/73/50/1071947350.db2.gz RZSNQBMETYQPRL-GLHSZLCASA-N 1 0 425.533 0.939 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001568396001 1071947425 /nfs/dbraw/zinc/94/74/25/1071947425.db2.gz RZSNQBMETYQPRL-URFJDIBFSA-N 1 0 425.533 0.939 20 0 ICADRO CC(C)(CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C[NH+]1CCCC1 ZINC001568490076 1071949746 /nfs/dbraw/zinc/94/97/46/1071949746.db2.gz CTFDVXIVWVSRTN-UHFFFAOYSA-N 1 0 430.958 0.955 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001568521501 1071950204 /nfs/dbraw/zinc/95/02/04/1071950204.db2.gz BZBPSZLUTWEOHS-IBGZPJMESA-N 1 0 447.598 0.716 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001568521502 1071950176 /nfs/dbraw/zinc/95/01/76/1071950176.db2.gz BZBPSZLUTWEOHS-LJQANCHMSA-N 1 0 447.598 0.716 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001568521596 1071950156 /nfs/dbraw/zinc/95/01/56/1071950156.db2.gz FJKQECZDCIQONS-FQEVSTJZSA-N 1 0 441.550 0.431 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001568521597 1071950666 /nfs/dbraw/zinc/95/06/66/1071950666.db2.gz FJKQECZDCIQONS-HXUWFJFHSA-N 1 0 441.550 0.431 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 ZINC001568521785 1071950699 /nfs/dbraw/zinc/95/06/99/1071950699.db2.gz KEQZVJALXVWFTP-IBGZPJMESA-N 1 0 445.607 0.670 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 ZINC001568521786 1071950729 /nfs/dbraw/zinc/95/07/29/1071950729.db2.gz KEQZVJALXVWFTP-LJQANCHMSA-N 1 0 445.607 0.670 20 0 ICADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)C1 ZINC001568565956 1071951257 /nfs/dbraw/zinc/95/12/57/1071951257.db2.gz QOFQPEXSSWWZFB-HNNXBMFYSA-N 1 0 444.579 0.560 20 0 ICADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)C1 ZINC001568565957 1071951758 /nfs/dbraw/zinc/95/17/58/1071951758.db2.gz QOFQPEXSSWWZFB-OAHLLOKOSA-N 1 0 444.579 0.560 20 0 ICADRO NC(=O)c1cn(CCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(=O)[nH]c1=O ZINC001568582269 1071951873 /nfs/dbraw/zinc/95/18/73/1071951873.db2.gz SVVTVOIWCAQRRN-UHFFFAOYSA-N 1 0 431.415 0.359 20 0 ICADRO Cn1cc([C@@H]2[C@@H](C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001568585082 1071951712 /nfs/dbraw/zinc/95/17/12/1071951712.db2.gz GFDLWAIFBPJINQ-SWHNLWLKSA-N 1 0 443.470 0.832 20 0 ICADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691127 1071953268 /nfs/dbraw/zinc/95/32/68/1071953268.db2.gz WVOUFWHWVQVECM-FGSXEWAUSA-N 1 0 440.504 0.962 20 0 ICADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691128 1071953419 /nfs/dbraw/zinc/95/34/19/1071953419.db2.gz WVOUFWHWVQVECM-HMFYCAOWSA-N 1 0 440.504 0.962 20 0 ICADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691129 1071953281 /nfs/dbraw/zinc/95/32/81/1071953281.db2.gz WVOUFWHWVQVECM-SPEDKVCISA-N 1 0 440.504 0.962 20 0 ICADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691130 1071953317 /nfs/dbraw/zinc/95/33/17/1071953317.db2.gz WVOUFWHWVQVECM-SVMVAKDDSA-N 1 0 440.504 0.962 20 0 ICADRO C[C@@H](NC(=O)CCC(=O)N[C@H](CO)C[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC001568701156 1071953997 /nfs/dbraw/zinc/95/39/97/1071953997.db2.gz HDVPTZUBVYMSDG-DOMZBBRYSA-N 1 0 428.327 0.955 20 0 ICADRO C[C@@H](NC(=O)CCC(=O)N[C@@H](CO)C[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC001568701157 1071953859 /nfs/dbraw/zinc/95/38/59/1071953859.db2.gz HDVPTZUBVYMSDG-IUODEOHRSA-N 1 0 428.327 0.955 20 0 ICADRO C[C@H](NC(=O)CCC(=O)N[C@@H](CO)C[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC001568701158 1071954003 /nfs/dbraw/zinc/95/40/03/1071954003.db2.gz HDVPTZUBVYMSDG-SWLSCSKDSA-N 1 0 428.327 0.955 20 0 ICADRO C[C@H](NC(=O)CCC(=O)N[C@H](CO)C[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC001568701159 1071953942 /nfs/dbraw/zinc/95/39/42/1071953942.db2.gz HDVPTZUBVYMSDG-WFASDCNBSA-N 1 0 428.327 0.955 20 0 ICADRO Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@H](CO)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701186 1071953902 /nfs/dbraw/zinc/95/39/02/1071953902.db2.gz HYTOOHUVQIEVDU-CVEARBPZSA-N 1 0 449.577 0.583 20 0 ICADRO Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@H](CO)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701187 1071953974 /nfs/dbraw/zinc/95/39/74/1071953974.db2.gz HYTOOHUVQIEVDU-HOTGVXAUSA-N 1 0 449.577 0.583 20 0 ICADRO Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@@H](CO)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701188 1071953915 /nfs/dbraw/zinc/95/39/15/1071953915.db2.gz HYTOOHUVQIEVDU-HZPDHXFCSA-N 1 0 449.577 0.583 20 0 ICADRO Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@@H](CO)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701189 1071954020 /nfs/dbraw/zinc/95/40/20/1071954020.db2.gz HYTOOHUVQIEVDU-JKSUJKDBSA-N 1 0 449.577 0.583 20 0 ICADRO C[NH+](C)C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Cl)cc1 ZINC001568744287 1071954842 /nfs/dbraw/zinc/95/48/42/1071954842.db2.gz GUOASHMYAKOLQW-CYBMUJFWSA-N 1 0 442.925 0.772 20 0 ICADRO C[NH+](C)C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Cl)cc1 ZINC001568744288 1071954899 /nfs/dbraw/zinc/95/48/99/1071954899.db2.gz GUOASHMYAKOLQW-ZDUSSCGKSA-N 1 0 442.925 0.772 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)CC1 ZINC001568757063 1071955360 /nfs/dbraw/zinc/95/53/60/1071955360.db2.gz GJVGPYCJUDLBKZ-PMACEKPBSA-N 1 0 448.568 0.158 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001568757146 1071955412 /nfs/dbraw/zinc/95/54/12/1071955412.db2.gz JTIYBJZTVOPEEF-UHFFFAOYSA-N 1 0 443.545 0.334 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)CC1 ZINC001568757181 1071955297 /nfs/dbraw/zinc/95/52/97/1071955297.db2.gz LBAMNYIKTFWRFL-RTWAWAEBSA-N 1 0 431.537 0.429 20 0 ICADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001568758036 1071955966 /nfs/dbraw/zinc/95/59/66/1071955966.db2.gz XSYXYYGOSNGQQY-UHFFFAOYSA-N 1 0 426.558 0.807 20 0 ICADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC001568773660 1071955853 /nfs/dbraw/zinc/95/58/53/1071955853.db2.gz CVNITSBTTFEKPM-KRWDZBQOSA-N 1 0 426.514 0.501 20 0 ICADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001568773661 1071955947 /nfs/dbraw/zinc/95/59/47/1071955947.db2.gz CVNITSBTTFEKPM-QGZVFWFLSA-N 1 0 426.514 0.501 20 0 ICADRO CN(C)c1ncc(Br)c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC001568773783 1071955860 /nfs/dbraw/zinc/95/58/60/1071955860.db2.gz GPJJGGHDCGBKDK-CYBMUJFWSA-N 1 0 425.331 0.730 20 0 ICADRO CN(C)c1ncc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC001568773784 1071955888 /nfs/dbraw/zinc/95/58/88/1071955888.db2.gz GPJJGGHDCGBKDK-ZDUSSCGKSA-N 1 0 425.331 0.730 20 0 ICADRO Cc1c(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)sc1S(N)(=O)=O ZINC001568774180 1071955922 /nfs/dbraw/zinc/95/59/22/1071955922.db2.gz NTRBDKJXPPOCSD-LLVKDONJSA-N 1 0 434.971 0.782 20 0 ICADRO Cc1c(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)sc1S(N)(=O)=O ZINC001568774181 1071955877 /nfs/dbraw/zinc/95/58/77/1071955877.db2.gz NTRBDKJXPPOCSD-NSHDSACASA-N 1 0 434.971 0.782 20 0 ICADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CCNS(=O)(=O)c3ccccc3F)CC2)C1=O ZINC001568774210 1071955934 /nfs/dbraw/zinc/95/59/34/1071955934.db2.gz OMZQHPYOXRRTIL-INIZCTEOSA-N 1 0 426.514 0.305 20 0 ICADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCNS(=O)(=O)c3ccccc3F)CC2)C1=O ZINC001568774211 1071955882 /nfs/dbraw/zinc/95/58/82/1071955882.db2.gz OMZQHPYOXRRTIL-MRXNPFEDSA-N 1 0 426.514 0.305 20 0 ICADRO Cc1[nH]nc(I)c1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001568774403 1071956464 /nfs/dbraw/zinc/95/64/64/1071956464.db2.gz SGWAISSNARHVQQ-LLVKDONJSA-N 1 0 431.278 0.748 20 0 ICADRO Cc1[nH]nc(I)c1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001568774404 1071956438 /nfs/dbraw/zinc/95/64/38/1071956438.db2.gz SGWAISSNARHVQQ-NSHDSACASA-N 1 0 431.278 0.748 20 0 ICADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001568774570 1071956431 /nfs/dbraw/zinc/95/64/31/1071956431.db2.gz UBULSDWCVLEPCP-INIZCTEOSA-N 1 0 447.540 0.495 20 0 ICADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001568774571 1071956308 /nfs/dbraw/zinc/95/63/08/1071956308.db2.gz UBULSDWCVLEPCP-MRXNPFEDSA-N 1 0 447.540 0.495 20 0 ICADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Br)cc3-n3cnnn3)CC2)C1=O ZINC001568774720 1071956374 /nfs/dbraw/zinc/95/63/74/1071956374.db2.gz VSDPSBRSUNUYIU-HNNXBMFYSA-N 1 0 448.325 0.850 20 0 ICADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(Br)cc3-n3cnnn3)CC2)C1=O ZINC001568774721 1071956457 /nfs/dbraw/zinc/95/64/57/1071956457.db2.gz VSDPSBRSUNUYIU-OAHLLOKOSA-N 1 0 448.325 0.850 20 0 ICADRO COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC001568774724 1071956358 /nfs/dbraw/zinc/95/63/58/1071956358.db2.gz VTNTYNTZFILZFT-IBGZPJMESA-N 1 0 444.532 0.586 20 0 ICADRO COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC001568774725 1071956408 /nfs/dbraw/zinc/95/64/08/1071956408.db2.gz VTNTYNTZFILZFT-LJQANCHMSA-N 1 0 444.532 0.586 20 0 ICADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001568861836 1071959122 /nfs/dbraw/zinc/95/91/22/1071959122.db2.gz SVTNTEHRRBRRGR-CHWSQXEVSA-N 1 0 428.942 0.802 20 0 ICADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001568861837 1071959189 /nfs/dbraw/zinc/95/91/89/1071959189.db2.gz SVTNTEHRRBRRGR-OLZOCXBDSA-N 1 0 428.942 0.802 20 0 ICADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001568861838 1071959060 /nfs/dbraw/zinc/95/90/60/1071959060.db2.gz SVTNTEHRRBRRGR-QWHCGFSZSA-N 1 0 428.942 0.802 20 0 ICADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001568861839 1071959172 /nfs/dbraw/zinc/95/91/72/1071959172.db2.gz SVTNTEHRRBRRGR-STQMWFEESA-N 1 0 428.942 0.802 20 0 ICADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001568872376 1071959758 /nfs/dbraw/zinc/95/97/58/1071959758.db2.gz VJROLSNAPRBEJO-PMACEKPBSA-N 1 0 435.594 0.321 20 0 ICADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001568872384 1071959643 /nfs/dbraw/zinc/95/96/43/1071959643.db2.gz VJROLSNAPRBEJO-UXHICEINSA-N 1 0 435.594 0.321 20 0 ICADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001568872386 1071959737 /nfs/dbraw/zinc/95/97/37/1071959737.db2.gz VJROLSNAPRBEJO-VQTJNVASSA-N 1 0 435.594 0.321 20 0 ICADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001568872388 1071959711 /nfs/dbraw/zinc/95/97/11/1071959711.db2.gz VJROLSNAPRBEJO-WOJBJXKFSA-N 1 0 435.594 0.321 20 0 ICADRO COC(=O)[C@H]1CCCN(CC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC001568889684 1071960270 /nfs/dbraw/zinc/96/02/70/1071960270.db2.gz ISIFQGNKFUFHLU-FQEVSTJZSA-N 1 0 430.549 0.674 20 0 ICADRO COC(=O)[C@@H]1CCCN(CC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC001568889685 1071960362 /nfs/dbraw/zinc/96/03/62/1071960362.db2.gz ISIFQGNKFUFHLU-HXUWFJFHSA-N 1 0 430.549 0.674 20 0 ICADRO CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC001568917323 1071960858 /nfs/dbraw/zinc/96/08/58/1071960858.db2.gz GXSQJFJJHPGFRE-GFCCVEGCSA-N 1 0 434.356 0.934 20 0 ICADRO CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC001568917324 1071960825 /nfs/dbraw/zinc/96/08/25/1071960825.db2.gz GXSQJFJJHPGFRE-LBPRGKRZSA-N 1 0 434.356 0.934 20 0 ICADRO O=C(CNS(=O)(=O)c1cccc(Br)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC001568918986 1071960729 /nfs/dbraw/zinc/96/07/29/1071960729.db2.gz ZPQRZUMEEXUQAY-AWEZNQCLSA-N 1 0 434.356 0.690 20 0 ICADRO O=C(CNS(=O)(=O)c1cccc(Br)c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001568918987 1071960812 /nfs/dbraw/zinc/96/08/12/1071960812.db2.gz ZPQRZUMEEXUQAY-CQSZACIVSA-N 1 0 434.356 0.690 20 0 ICADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)CN2CCCCC(=O)C2=O)c1 ZINC001568968324 1071961885 /nfs/dbraw/zinc/96/18/85/1071961885.db2.gz KTIIESAAQNKWRB-UHFFFAOYSA-N 1 0 438.550 0.827 20 0 ICADRO COC1(C(=O)Nc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)CS(=O)(=O)C1 ZINC001568968435 1071961857 /nfs/dbraw/zinc/96/18/57/1071961857.db2.gz OQJAMKAZVQQPLR-UHFFFAOYSA-N 1 0 433.552 0.059 20 0 ICADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)c1 ZINC001568968697 1071961872 /nfs/dbraw/zinc/96/18/72/1071961872.db2.gz ZWJKJUOYMZWJSL-AWEZNQCLSA-N 1 0 436.538 0.805 20 0 ICADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)c1 ZINC001568968698 1071961827 /nfs/dbraw/zinc/96/18/27/1071961827.db2.gz ZWJKJUOYMZWJSL-CQSZACIVSA-N 1 0 436.538 0.805 20 0 ICADRO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC001569039422 1071965038 /nfs/dbraw/zinc/96/50/38/1071965038.db2.gz JXRXIWJKDCUXGB-DZFIZOCASA-N 1 0 435.546 0.892 20 0 ICADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)C[C@H]21 ZINC001569041576 1071966545 /nfs/dbraw/zinc/96/65/45/1071966545.db2.gz PEHJYIWTLIFETR-DBDULZNHSA-N 1 0 427.567 0.675 20 0 ICADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)C[C@H]21 ZINC001569041577 1071966650 /nfs/dbraw/zinc/96/66/50/1071966650.db2.gz PEHJYIWTLIFETR-HOIZKXCTSA-N 1 0 427.567 0.675 20 0 ICADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C[C@H]21 ZINC001569041578 1071966509 /nfs/dbraw/zinc/96/65/09/1071966509.db2.gz PEHJYIWTLIFETR-UDOHHAEJSA-N 1 0 427.567 0.675 20 0 ICADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C[C@H]21 ZINC001569041579 1071966602 /nfs/dbraw/zinc/96/66/02/1071966602.db2.gz PEHJYIWTLIFETR-ZHHZMWCQSA-N 1 0 427.567 0.675 20 0 ICADRO O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCC[NH+]1CCCCC1 ZINC001569055273 1071968175 /nfs/dbraw/zinc/96/81/75/1071968175.db2.gz PAHDMEIFVKWOHV-INIZCTEOSA-N 1 0 430.505 0.529 20 0 ICADRO O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCC[NH+]1CCCCC1 ZINC001569055274 1071968182 /nfs/dbraw/zinc/96/81/82/1071968182.db2.gz PAHDMEIFVKWOHV-MRXNPFEDSA-N 1 0 430.505 0.529 20 0 ICADRO CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1 ZINC001569057063 1071968163 /nfs/dbraw/zinc/96/81/63/1071968163.db2.gz BBCDJEIDGVRNKR-UHFFFAOYSA-N 1 0 444.579 0.435 20 0 ICADRO COc1cccc(/C=C(/C(=O)NCC(=O)NCC[NH+]2CCCCC2)n2nnnc2C)c1 ZINC001569057191 1071968152 /nfs/dbraw/zinc/96/81/52/1071968152.db2.gz HYXGNKIRBNLWCP-RGEXLXHISA-N 1 0 427.509 0.707 20 0 ICADRO COc1cccc(/C=C(\C(=O)NCC(=O)NCC[NH+]2CCCCC2)n2nnnc2C)c1 ZINC001569057192 1071968081 /nfs/dbraw/zinc/96/80/81/1071968081.db2.gz HYXGNKIRBNLWCP-XMHGGMMESA-N 1 0 427.509 0.707 20 0 ICADRO Cc1c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)nnn1-c1ccc2c(c1)OCCO2 ZINC001569057234 1071968110 /nfs/dbraw/zinc/96/81/10/1071968110.db2.gz JAQFKFJEPBPRMC-UHFFFAOYSA-N 1 0 428.493 0.679 20 0 ICADRO CN(CCCC(=O)NCC(=O)NCC[NH+]1CCCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC001569057249 1071968102 /nfs/dbraw/zinc/96/81/02/1071968102.db2.gz JMVSHYHRBHTCAT-UHFFFAOYSA-N 1 0 449.577 0.566 20 0 ICADRO O=C(CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)NCC[NH+]1CCCCC1 ZINC001569057272 1071968062 /nfs/dbraw/zinc/96/80/62/1071968062.db2.gz KKIAKPFLONWNSX-UHFFFAOYSA-N 1 0 444.504 0.737 20 0 ICADRO O=C(CNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1)NCC[NH+]1CCCCC1 ZINC001569057392 1071968139 /nfs/dbraw/zinc/96/81/39/1071968139.db2.gz PAISJVMFRSQITO-IBGZPJMESA-N 1 0 432.521 0.742 20 0 ICADRO O=C(CNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1)NCC[NH+]1CCCCC1 ZINC001569057393 1071968208 /nfs/dbraw/zinc/96/82/08/1071968208.db2.gz PAISJVMFRSQITO-LJQANCHMSA-N 1 0 432.521 0.742 20 0 ICADRO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001569057400 1071968120 /nfs/dbraw/zinc/96/81/20/1071968120.db2.gz PJBXHGLNPKOEFI-INIZCTEOSA-N 1 0 437.928 0.032 20 0 ICADRO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001569057401 1071968200 /nfs/dbraw/zinc/96/82/00/1071968200.db2.gz PJBXHGLNPKOEFI-MRXNPFEDSA-N 1 0 437.928 0.032 20 0 ICADRO O=C(CNC(=O)c1ccc(-n2cc(Br)cn2)nn1)NCC[NH+]1CCCCC1 ZINC001569057515 1071968717 /nfs/dbraw/zinc/96/87/17/1071968717.db2.gz UXJRZRGMWKVCEG-UHFFFAOYSA-N 1 0 436.314 0.757 20 0 ICADRO CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCC(=O)NCC[NH+]2CCCCC2)C1 ZINC001569057536 1071968545 /nfs/dbraw/zinc/96/85/45/1071968545.db2.gz VMFZBJHEVKTVSM-NRFANRHFSA-N 1 0 426.558 0.857 20 0 ICADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCC(=O)NCC[NH+]2CCCCC2)C1 ZINC001569057537 1071968683 /nfs/dbraw/zinc/96/86/83/1071968683.db2.gz VMFZBJHEVKTVSM-OAQYLSRUSA-N 1 0 426.558 0.857 20 0 ICADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001569129270 1071970211 /nfs/dbraw/zinc/97/02/11/1071970211.db2.gz UOCSYCBXNQMZPR-UHFFFAOYSA-N 1 0 448.549 0.158 20 0 ICADRO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001569144566 1071970712 /nfs/dbraw/zinc/97/07/12/1071970712.db2.gz CFTUJLQHHVANDP-IBGZPJMESA-N 1 0 434.512 0.760 20 0 ICADRO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001569144567 1071970644 /nfs/dbraw/zinc/97/06/44/1071970644.db2.gz CFTUJLQHHVANDP-LJQANCHMSA-N 1 0 434.512 0.760 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@H]1c1ccnn1C ZINC001569144825 1071970740 /nfs/dbraw/zinc/97/07/40/1071970740.db2.gz QAQKBTSIEQLVSG-RTWAWAEBSA-N 1 0 433.553 0.669 20 0 ICADRO O=C(NC[C@]1(O)CCS(=O)(=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001569154781 1071971757 /nfs/dbraw/zinc/97/17/57/1071971757.db2.gz RRMSPIVGLDTCCA-TUNNFDKTSA-N 1 0 429.542 0.963 20 0 ICADRO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001569154784 1071971722 /nfs/dbraw/zinc/97/17/22/1071971722.db2.gz RRMSPIVGLDTCCA-VWPQPMDRSA-N 1 0 429.542 0.963 20 0 ICADRO C[C@@H]1CN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001569161857 1071972207 /nfs/dbraw/zinc/97/22/07/1071972207.db2.gz GJBQXKJSVPSTBE-LLUDDFSJSA-N 1 0 425.533 0.891 20 0 ICADRO C[C@H]1CN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001569161858 1071972242 /nfs/dbraw/zinc/97/22/42/1071972242.db2.gz GJBQXKJSVPSTBE-QYRPDUKASA-N 1 0 425.533 0.891 20 0 ICADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC001569178061 1071972943 /nfs/dbraw/zinc/97/29/43/1071972943.db2.gz VAXGYVFXCNLQOZ-HDICACEKSA-N 1 0 440.610 0.752 20 0 ICADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC001569178156 1071972954 /nfs/dbraw/zinc/97/29/54/1071972954.db2.gz ZMANSBYCGROGTJ-GASCZTMLSA-N 1 0 427.523 0.055 20 0 ICADRO O=C(NCC[NH+]1CCC(O)CC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC001569179565 1071972973 /nfs/dbraw/zinc/97/29/73/1071972973.db2.gz JRRGUHJLVKRFPF-UHFFFAOYSA-N 1 0 441.458 0.932 20 0 ICADRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001569179721 1071972782 /nfs/dbraw/zinc/97/27/82/1071972782.db2.gz LQBSKZXQAVTJBD-UHFFFAOYSA-N 1 0 434.562 0.987 20 0 ICADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCC(O)CC3)CC2)c1 ZINC001569180232 1071972928 /nfs/dbraw/zinc/97/29/28/1071972928.db2.gz UHTDEBQEJHUPMJ-UHFFFAOYSA-N 1 0 437.562 0.863 20 0 ICADRO CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCC[NH+]3CCC(O)CC3)cnn2c1 ZINC001569181421 1071972992 /nfs/dbraw/zinc/97/29/92/1071972992.db2.gz DZYPHNYYPDCVCM-UHFFFAOYSA-N 1 0 432.525 0.983 20 0 ICADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1Br ZINC001569181676 1071972794 /nfs/dbraw/zinc/97/27/94/1071972794.db2.gz ILUPPPKCXDYYAM-UHFFFAOYSA-N 1 0 434.356 0.886 20 0 ICADRO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC[NH+]2CCC(O)CC2)C1=O ZINC001569182251 1071972935 /nfs/dbraw/zinc/97/29/35/1071972935.db2.gz UOLYLKDMQHUJAD-IBGZPJMESA-N 1 0 426.876 0.819 20 0 ICADRO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC[NH+]2CCC(O)CC2)C1=O ZINC001569182252 1071972841 /nfs/dbraw/zinc/97/28/41/1071972841.db2.gz UOLYLKDMQHUJAD-LJQANCHMSA-N 1 0 426.876 0.819 20 0 ICADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC001569248239 1071975447 /nfs/dbraw/zinc/97/54/47/1071975447.db2.gz DHKJPPURFSOTFJ-INIZCTEOSA-N 1 0 427.523 0.105 20 0 ICADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC001569248240 1071975409 /nfs/dbraw/zinc/97/54/09/1071975409.db2.gz DHKJPPURFSOTFJ-MRXNPFEDSA-N 1 0 427.523 0.105 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001569248343 1071975460 /nfs/dbraw/zinc/97/54/60/1071975460.db2.gz DLOQLJWHXGHKEM-LLVKDONJSA-N 1 0 440.385 0.752 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001569248350 1071975500 /nfs/dbraw/zinc/97/55/00/1071975500.db2.gz DLOQLJWHXGHKEM-NSHDSACASA-N 1 0 440.385 0.752 20 0 ICADRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc(Br)cc1S(N)(=O)=O ZINC001569248713 1071975400 /nfs/dbraw/zinc/97/54/00/1071975400.db2.gz KDBSPEIWEMTQTP-CYBMUJFWSA-N 1 0 434.356 0.982 20 0 ICADRO Cc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(Br)cc1S(N)(=O)=O ZINC001569248714 1071975392 /nfs/dbraw/zinc/97/53/92/1071975392.db2.gz KDBSPEIWEMTQTP-ZDUSSCGKSA-N 1 0 434.356 0.982 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001569249108 1071975487 /nfs/dbraw/zinc/97/54/87/1071975487.db2.gz UZLNQWLUTPFIPO-KRWDZBQOSA-N 1 0 425.551 0.593 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001569249109 1071975539 /nfs/dbraw/zinc/97/55/39/1071975539.db2.gz UZLNQWLUTPFIPO-QGZVFWFLSA-N 1 0 425.551 0.593 20 0 ICADRO C[NH+](C)CC1CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC001569257717 1071976556 /nfs/dbraw/zinc/97/65/56/1071976556.db2.gz JARSKMDIVBKIQT-DVESRUBUSA-N 1 0 443.591 0.400 20 0 ICADRO C[NH+](C)CC1CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC001569257718 1071976598 /nfs/dbraw/zinc/97/65/98/1071976598.db2.gz JARSKMDIVBKIQT-PEKVBPLLSA-N 1 0 443.591 0.400 20 0 ICADRO C[NH+](C)CC1CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC001569257719 1071976522 /nfs/dbraw/zinc/97/65/22/1071976522.db2.gz JARSKMDIVBKIQT-ZPHJMFTNSA-N 1 0 443.591 0.400 20 0 ICADRO C[NH+](C)CC1CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC001569257720 1071976588 /nfs/dbraw/zinc/97/65/88/1071976588.db2.gz JARSKMDIVBKIQT-ZVBPTUHVSA-N 1 0 443.591 0.400 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[N@@H+]4CC[C@H]3C4)CC2=O)cc1 ZINC001569262357 1071977110 /nfs/dbraw/zinc/97/71/10/1071977110.db2.gz BNWYZVISGSQBOG-AEFFLSMTSA-N 1 0 434.562 0.987 20 0 ICADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[N@@H+]4CC[C@H]3C4)CC2)c1 ZINC001569263251 1071977616 /nfs/dbraw/zinc/97/76/16/1071977616.db2.gz ZLGMKTXKMVMWAM-IBGZPJMESA-N 1 0 448.589 0.833 20 0 ICADRO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC001569328627 1071979115 /nfs/dbraw/zinc/97/91/15/1071979115.db2.gz RQZWUCLKURYCMX-UHFFFAOYSA-N 1 0 443.591 0.845 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC001569365674 1071979596 /nfs/dbraw/zinc/97/95/96/1071979596.db2.gz CPORTKCCMYLFGR-UHFFFAOYSA-N 1 0 442.582 0.230 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC001569365731 1071980180 /nfs/dbraw/zinc/98/01/80/1071980180.db2.gz DFCBAGGXLZPAKB-UHFFFAOYSA-N 1 0 445.607 0.663 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC001569365751 1071980161 /nfs/dbraw/zinc/98/01/61/1071980161.db2.gz DIUWFAURPZVDJC-UHFFFAOYSA-N 1 0 440.566 0.018 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001569365998 1071980170 /nfs/dbraw/zinc/98/01/70/1071980170.db2.gz HGFVYXAKQAUHHT-UHFFFAOYSA-N 1 0 431.580 0.734 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC001569366301 1071980243 /nfs/dbraw/zinc/98/02/43/1071980243.db2.gz MIUCCTZWKHQQQK-UHFFFAOYSA-N 1 0 425.551 0.514 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001569366580 1071980197 /nfs/dbraw/zinc/98/01/97/1071980197.db2.gz SWRGQSAXRAOZIC-UHFFFAOYSA-N 1 0 446.591 0.470 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001569370372 1071980120 /nfs/dbraw/zinc/98/01/20/1071980120.db2.gz ARUZGMVQFRXIFE-BBWFWOEESA-N 1 0 430.505 0.743 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001569370374 1071980250 /nfs/dbraw/zinc/98/02/50/1071980250.db2.gz ARUZGMVQFRXIFE-IXDOHACOSA-N 1 0 430.505 0.743 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001569435267 1071982346 /nfs/dbraw/zinc/98/23/46/1071982346.db2.gz DFYMWSQKYAEXJC-KRWDZBQOSA-N 1 0 428.555 0.655 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001569435268 1071982112 /nfs/dbraw/zinc/98/21/12/1071982112.db2.gz DFYMWSQKYAEXJC-QGZVFWFLSA-N 1 0 428.555 0.655 20 0 ICADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001569435488 1071982373 /nfs/dbraw/zinc/98/23/73/1071982373.db2.gz KVWHWNYVMJKOSE-INIZCTEOSA-N 1 0 429.514 0.423 20 0 ICADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001569435489 1071982172 /nfs/dbraw/zinc/98/21/72/1071982172.db2.gz KVWHWNYVMJKOSE-MRXNPFEDSA-N 1 0 429.514 0.423 20 0 ICADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001569435503 1071982199 /nfs/dbraw/zinc/98/21/99/1071982199.db2.gz LHUIOGLRBFEELA-KRWDZBQOSA-N 1 0 427.571 0.390 20 0 ICADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001569435504 1071982148 /nfs/dbraw/zinc/98/21/48/1071982148.db2.gz LHUIOGLRBFEELA-QGZVFWFLSA-N 1 0 427.571 0.390 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC001569435813 1071982227 /nfs/dbraw/zinc/98/22/27/1071982227.db2.gz RLHCAGSRWGNDRN-KRWDZBQOSA-N 1 0 426.539 0.229 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC001569435814 1071982304 /nfs/dbraw/zinc/98/23/04/1071982304.db2.gz RLHCAGSRWGNDRN-QGZVFWFLSA-N 1 0 426.539 0.229 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@@H]1CCCC[N@H+]1CCO ZINC001569436109 1071982259 /nfs/dbraw/zinc/98/22/59/1071982259.db2.gz UFUMXASIMOCTMK-HNNXBMFYSA-N 1 0 427.523 0.089 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@H]1CCCC[N@H+]1CCO ZINC001569436110 1071982287 /nfs/dbraw/zinc/98/22/87/1071982287.db2.gz UFUMXASIMOCTMK-OAHLLOKOSA-N 1 0 427.523 0.089 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]1c1nccn1C ZINC001569461319 1071982678 /nfs/dbraw/zinc/98/26/78/1071982678.db2.gz SLWSLYCMAPLOOT-GIVPXCGWSA-N 1 0 441.532 0.244 20 0 ICADRO O=C(OCc1ccccc1)N1CC(O)(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC001569461392 1071982933 /nfs/dbraw/zinc/98/29/33/1071982933.db2.gz VWZMUUKEUCJDDO-OAQYLSRUSA-N 1 0 439.512 0.905 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC001569466464 1071982910 /nfs/dbraw/zinc/98/29/10/1071982910.db2.gz CTVJBMLTVCTAMN-CYBMUJFWSA-N 1 0 439.456 0.827 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001569466466 1071982751 /nfs/dbraw/zinc/98/27/51/1071982751.db2.gz CTVJBMLTVCTAMN-ZDUSSCGKSA-N 1 0 439.456 0.827 20 0 ICADRO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)sc1Br ZINC001569469569 1071982639 /nfs/dbraw/zinc/98/26/39/1071982639.db2.gz AQKKCSOOUVXLPD-SECBINFHSA-N 1 0 426.358 0.735 20 0 ICADRO NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)sc1Br ZINC001569469570 1071982610 /nfs/dbraw/zinc/98/26/10/1071982610.db2.gz AQKKCSOOUVXLPD-VIFPVBQESA-N 1 0 426.358 0.735 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)NC[C@H]1CCC[N@H+]1CCCO ZINC001569469899 1071982854 /nfs/dbraw/zinc/98/28/54/1071982854.db2.gz HDPCYMHORMTTDW-LLVKDONJSA-N 1 0 440.385 0.752 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001569469900 1071982887 /nfs/dbraw/zinc/98/28/87/1071982887.db2.gz HDPCYMHORMTTDW-NSHDSACASA-N 1 0 440.385 0.752 20 0 ICADRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1S(=O)(=O)N1CCOCC1 ZINC001569470367 1071982706 /nfs/dbraw/zinc/98/27/06/1071982706.db2.gz TZUNVLKFJHADRR-IBGZPJMESA-N 1 0 439.578 0.847 20 0 ICADRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1S(=O)(=O)N1CCOCC1 ZINC001569470368 1071982818 /nfs/dbraw/zinc/98/28/18/1071982818.db2.gz TZUNVLKFJHADRR-LJQANCHMSA-N 1 0 439.578 0.847 20 0 ICADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001569573717 1071984988 /nfs/dbraw/zinc/98/49/88/1071984988.db2.gz DIBSGZUJJXLOCI-UHFFFAOYSA-N 1 0 436.578 0.335 20 0 ICADRO CN1CC[NH+](CC2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001569573843 1071985029 /nfs/dbraw/zinc/98/50/29/1071985029.db2.gz JDSNOOJSKYNFNO-UHFFFAOYSA-N 1 0 435.377 0.978 20 0 ICADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)C1 ZINC001569573844 1071985006 /nfs/dbraw/zinc/98/50/06/1071985006.db2.gz JEJANAJWFQOAOV-GOSISDBHSA-N 1 0 438.598 0.133 20 0 ICADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)C1 ZINC001569573845 1071984876 /nfs/dbraw/zinc/98/48/76/1071984876.db2.gz JEJANAJWFQOAOV-SFHVURJKSA-N 1 0 438.598 0.133 20 0 ICADRO COC[C@]1(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569574020 1071985015 /nfs/dbraw/zinc/98/50/15/1071985015.db2.gz QLDRWQSQYKRXLA-NRFANRHFSA-N 1 0 426.558 0.345 20 0 ICADRO COC[C@@]1(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569574021 1071984847 /nfs/dbraw/zinc/98/48/47/1071984847.db2.gz QLDRWQSQYKRXLA-OAQYLSRUSA-N 1 0 426.558 0.345 20 0 ICADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001569627256 1071986457 /nfs/dbraw/zinc/98/64/57/1071986457.db2.gz ICPZLXYEGKJVRO-UHFFFAOYSA-N 1 0 430.615 0.934 20 0 ICADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001569786299 1071989117 /nfs/dbraw/zinc/98/91/17/1071989117.db2.gz YLAYPCXVYWUJNA-INIZCTEOSA-N 1 0 445.607 0.995 20 0 ICADRO CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001569835925 1071989694 /nfs/dbraw/zinc/98/96/94/1071989694.db2.gz IRHSRBUKFCJDOL-FHWLQOOXSA-N 1 0 436.528 0.610 20 0 ICADRO CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001569835926 1071989651 /nfs/dbraw/zinc/98/96/51/1071989651.db2.gz IRHSRBUKFCJDOL-QYZOEREBSA-N 1 0 436.528 0.610 20 0 ICADRO CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001569835933 1071989581 /nfs/dbraw/zinc/98/95/81/1071989581.db2.gz JAYJTOXESFBUII-GRGSLBFTSA-N 1 0 431.537 0.651 20 0 ICADRO CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001569835934 1071989587 /nfs/dbraw/zinc/98/95/87/1071989587.db2.gz 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CC(=O)N[C@@H](CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C(N)=O ZINC001570553783 1072021345 /nfs/dbraw/zinc/02/13/45/1072021345.db2.gz DFTWHMDUSWFEIM-AWEZNQCLSA-N 1 0 428.331 0.766 20 0 ICADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001570565611 1072021833 /nfs/dbraw/zinc/02/18/33/1072021833.db2.gz VMOFUSRMUBWCIC-BPQIPLTHSA-N 1 0 448.568 0.649 20 0 ICADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001570565612 1072021766 /nfs/dbraw/zinc/02/17/66/1072021766.db2.gz VMOFUSRMUBWCIC-RYQLBKOJSA-N 1 0 448.568 0.649 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)[C@H]1c1ccnn1C ZINC001570584803 1072022321 /nfs/dbraw/zinc/02/23/21/1072022321.db2.gz FMICWFFZHUUHBA-RTWAWAEBSA-N 1 0 435.569 0.650 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)o1 ZINC001570609498 1072023245 /nfs/dbraw/zinc/02/32/45/1072023245.db2.gz HHMGRUADZQVFEG-JXFKEZNVSA-N 1 0 446.529 0.925 20 0 ICADRO 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC001570632376 1072024203 /nfs/dbraw/zinc/02/42/03/1072024203.db2.gz MULSVKCOFPPLSV-LBPRGKRZSA-N 1 0 436.456 0.562 20 0 ICADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001570632530 1072024606 /nfs/dbraw/zinc/02/46/06/1072024606.db2.gz QQDCMLXUWAJMHM-INIZCTEOSA-N 1 0 436.578 0.812 20 0 ICADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001570632531 1072024307 /nfs/dbraw/zinc/02/43/07/1072024307.db2.gz QQDCMLXUWAJMHM-MRXNPFEDSA-N 1 0 436.578 0.812 20 0 ICADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1=O ZINC001570632576 1072024455 /nfs/dbraw/zinc/02/44/55/1072024455.db2.gz RYODSBUEZKIYJA-LHSJRXKWSA-N 1 0 431.493 0.041 20 0 ICADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1=O ZINC001570632577 1072024170 /nfs/dbraw/zinc/02/41/70/1072024170.db2.gz RYODSBUEZKIYJA-QKKBWIMNSA-N 1 0 431.493 0.041 20 0 ICADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1=O ZINC001570632578 1072024481 /nfs/dbraw/zinc/02/44/81/1072024481.db2.gz RYODSBUEZKIYJA-SPLOXXLWSA-N 1 0 431.493 0.041 20 0 ICADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1=O ZINC001570632579 1072024411 /nfs/dbraw/zinc/02/44/11/1072024411.db2.gz RYODSBUEZKIYJA-SZNDQCEHSA-N 1 0 431.493 0.041 20 0 ICADRO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001570632584 1072024334 /nfs/dbraw/zinc/02/43/34/1072024334.db2.gz SBXMOKRLHSLAJX-BBWFWOEESA-N 1 0 439.601 0.791 20 0 ICADRO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001570632585 1072024540 /nfs/dbraw/zinc/02/45/40/1072024540.db2.gz SBXMOKRLHSLAJX-IKGGRYGDSA-N 1 0 439.601 0.791 20 0 ICADRO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001570632586 1072024436 /nfs/dbraw/zinc/02/44/36/1072024436.db2.gz SBXMOKRLHSLAJX-ULQDDVLXSA-N 1 0 439.601 0.791 20 0 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ICADRO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(OC)c1 ZINC001570632710 1072024983 /nfs/dbraw/zinc/02/49/83/1072024983.db2.gz WETXHHNMPUTLHX-CRAIPNDOSA-N 1 0 432.521 0.887 20 0 ICADRO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(OC)c1 ZINC001570632711 1072024834 /nfs/dbraw/zinc/02/48/34/1072024834.db2.gz WETXHHNMPUTLHX-MAUKXSAKSA-N 1 0 432.521 0.887 20 0 ICADRO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(OC)c1 ZINC001570632712 1072024905 /nfs/dbraw/zinc/02/49/05/1072024905.db2.gz WETXHHNMPUTLHX-QAPCUYQASA-N 1 0 432.521 0.887 20 0 ICADRO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(OC)c1 ZINC001570632713 1072025114 /nfs/dbraw/zinc/02/51/14/1072025114.db2.gz WETXHHNMPUTLHX-YJBOKZPZSA-N 1 0 432.521 0.887 20 0 ICADRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)CCO2 ZINC001570646336 1072025549 /nfs/dbraw/zinc/02/55/49/1072025549.db2.gz MPBVVGSZWIVAFB-UHFFFAOYSA-N 1 0 443.591 0.635 20 0 ICADRO 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C[NH+](C)CCn1cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cn1 ZINC001570818907 1072032161 /nfs/dbraw/zinc/03/21/61/1072032161.db2.gz CFMIHGNYUOEIKY-OAHLLOKOSA-N 1 0 429.543 0.807 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCO)C2CC[NH+](C)CC2)cc1 ZINC001570862764 1072032780 /nfs/dbraw/zinc/03/27/80/1072032780.db2.gz GCNNKDPUUUZIQZ-UHFFFAOYSA-N 1 0 426.539 0.181 20 0 ICADRO C[NH+]1CCC(N(CCO)C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001570863146 1072032880 /nfs/dbraw/zinc/03/28/80/1072032880.db2.gz YDASIAJHVWPUQF-UHFFFAOYSA-N 1 0 434.356 0.643 20 0 ICADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)s1 ZINC001570914436 1072034022 /nfs/dbraw/zinc/03/40/22/1072034022.db2.gz DLIDEGKXPGQWJK-HNNXBMFYSA-N 1 0 430.596 0.851 20 0 ICADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)s1 ZINC001570914437 1072033802 /nfs/dbraw/zinc/03/38/02/1072033802.db2.gz DLIDEGKXPGQWJK-OAHLLOKOSA-N 1 0 430.596 0.851 20 0 ICADRO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001583054240 1072040051 /nfs/dbraw/zinc/04/00/51/1072040051.db2.gz FZVNZSVVKKDIBH-JOCHJYFZSA-N 1 0 448.589 0.902 20 0 ICADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC001583067236 1072040140 /nfs/dbraw/zinc/04/01/40/1072040140.db2.gz KBSBMORGTKYXKQ-UHFFFAOYSA-N 1 0 431.518 0.606 20 0 ICADRO C[NH+](C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001583076907 1072040103 /nfs/dbraw/zinc/04/01/03/1072040103.db2.gz DNQLLWRQHWIZBL-UHFFFAOYSA-N 1 0 431.522 0.468 20 0 ICADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1nnn(C(C)(C)C)n1 ZINC001583104675 1072040859 /nfs/dbraw/zinc/04/08/59/1072040859.db2.gz QHJJEVFQPXXSCN-UHFFFAOYSA-N 1 0 437.570 0.897 20 0 ICADRO CN(C)S(=O)(=O)NCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001583172401 1072042308 /nfs/dbraw/zinc/04/23/08/1072042308.db2.gz WALHMVOLGQDJHY-UHFFFAOYSA-N 1 0 432.550 0.738 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001583246198 1072045482 /nfs/dbraw/zinc/04/54/82/1072045482.db2.gz PIGFFIWXBUSIAO-FQEVSTJZSA-N 1 0 441.550 0.127 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001583246199 1072045199 /nfs/dbraw/zinc/04/51/99/1072045199.db2.gz PIGFFIWXBUSIAO-HXUWFJFHSA-N 1 0 441.550 0.127 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC001583251044 1072045930 /nfs/dbraw/zinc/04/59/30/1072045930.db2.gz CMYVVLHMMHFBAG-FQEVSTJZSA-N 1 0 443.566 0.801 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC001583251045 1072046140 /nfs/dbraw/zinc/04/61/40/1072046140.db2.gz CMYVVLHMMHFBAG-HXUWFJFHSA-N 1 0 443.566 0.801 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC001583251088 1072046042 /nfs/dbraw/zinc/04/60/42/1072046042.db2.gz DUEUIRFVCKKCPE-FQEVSTJZSA-N 1 0 425.551 0.954 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC001583251089 1072046249 /nfs/dbraw/zinc/04/62/49/1072046249.db2.gz DUEUIRFVCKKCPE-HXUWFJFHSA-N 1 0 425.551 0.954 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001583251207 1072046215 /nfs/dbraw/zinc/04/62/15/1072046215.db2.gz HYDYOJZDGBTLDZ-NRFANRHFSA-N 1 0 439.578 0.965 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001583251208 1072045979 /nfs/dbraw/zinc/04/59/79/1072045979.db2.gz HYDYOJZDGBTLDZ-OAQYLSRUSA-N 1 0 439.578 0.965 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC001583251219 1072046180 /nfs/dbraw/zinc/04/61/80/1072046180.db2.gz IFKUHSVYQSWLST-FQEVSTJZSA-N 1 0 437.518 0.413 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC001583251220 1072046072 /nfs/dbraw/zinc/04/60/72/1072046072.db2.gz IFKUHSVYQSWLST-HXUWFJFHSA-N 1 0 437.518 0.413 20 0 ICADRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccn1 ZINC001583353234 1072051490 /nfs/dbraw/zinc/05/14/90/1072051490.db2.gz PUNISSBGRNWSHL-UHFFFAOYSA-N 1 0 435.506 0.690 20 0 ICADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1cc(=O)[nH]c(=S)[nH]1 ZINC001583368710 1072052394 /nfs/dbraw/zinc/05/23/94/1072052394.db2.gz HZEFTMDFUFXIQH-UHFFFAOYSA-N 1 0 439.563 0.939 20 0 ICADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001583412381 1072053569 /nfs/dbraw/zinc/05/35/69/1072053569.db2.gz DSOKMSKHXVHHFI-FQEVSTJZSA-N 1 0 434.606 0.982 20 0 ICADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001583412382 1072053620 /nfs/dbraw/zinc/05/36/20/1072053620.db2.gz DSOKMSKHXVHHFI-HXUWFJFHSA-N 1 0 434.606 0.982 20 0 ICADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001583462932 1072056027 /nfs/dbraw/zinc/05/60/27/1072056027.db2.gz MRMBDYGUCNMSRI-ARFHVFGLSA-N 1 0 427.505 0.948 20 0 ICADRO C[C@@H]1CN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001583462937 1072056078 /nfs/dbraw/zinc/05/60/78/1072056078.db2.gz MRMBDYGUCNMSRI-BZUAXINKSA-N 1 0 427.505 0.948 20 0 ICADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001583462939 1072056161 /nfs/dbraw/zinc/05/61/61/1072056161.db2.gz MRMBDYGUCNMSRI-HRCADAONSA-N 1 0 427.505 0.948 20 0 ICADRO C[C@@H]1CN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001583462941 1072055920 /nfs/dbraw/zinc/05/59/20/1072055920.db2.gz MRMBDYGUCNMSRI-OWCLPIDISA-N 1 0 427.505 0.948 20 0 ICADRO COc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(OC)c1OCC(N)=O ZINC001583487613 1072056688 /nfs/dbraw/zinc/05/66/88/1072056688.db2.gz NUANXQFGNSLFGW-UHFFFAOYSA-N 1 0 448.520 0.514 20 0 ICADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC001583487658 1072056751 /nfs/dbraw/zinc/05/67/51/1072056751.db2.gz PXTAFOVMFOXIEU-UHFFFAOYSA-N 1 0 425.327 0.943 20 0 ICADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)s1 ZINC001583487672 1072056983 /nfs/dbraw/zinc/05/69/83/1072056983.db2.gz QFOVQUFOSFTTKD-UHFFFAOYSA-N 1 0 442.607 0.786 20 0 ICADRO CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccc21 ZINC001583488019 1072057421 /nfs/dbraw/zinc/05/74/21/1072057421.db2.gz XJCYDPKDEQUNMZ-UHFFFAOYSA-N 1 0 434.562 0.955 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC001583516975 1072058038 /nfs/dbraw/zinc/05/80/38/1072058038.db2.gz YFQWCHHMTFLQPF-AEFFLSMTSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC001583516976 1072057848 /nfs/dbraw/zinc/05/78/48/1072057848.db2.gz YFQWCHHMTFLQPF-FUHWJXTLSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC001583516977 1072058140 /nfs/dbraw/zinc/05/81/40/1072058140.db2.gz YFQWCHHMTFLQPF-SJLPKXTDSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC001583516978 1072057997 /nfs/dbraw/zinc/05/79/97/1072057997.db2.gz YFQWCHHMTFLQPF-WMZOPIPTSA-N 1 0 425.551 0.673 20 0 ICADRO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCN1c1cc[nH+]cc1 ZINC001583521679 1072058810 /nfs/dbraw/zinc/05/88/10/1072058810.db2.gz WQFSMBKNLXBTFW-INIZCTEOSA-N 1 0 443.529 0.553 20 0 ICADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCN1c1cc[nH+]cc1 ZINC001583521680 1072058741 /nfs/dbraw/zinc/05/87/41/1072058741.db2.gz WQFSMBKNLXBTFW-MRXNPFEDSA-N 1 0 443.529 0.553 20 0 ICADRO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCOCC1 ZINC001583536635 1072058754 /nfs/dbraw/zinc/05/87/54/1072058754.db2.gz DZIZDYAEIUVFKB-INIZCTEOSA-N 1 0 426.558 0.929 20 0 ICADRO C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCOCC1 ZINC001583536636 1072058827 /nfs/dbraw/zinc/05/88/27/1072058827.db2.gz DZIZDYAEIUVFKB-MRXNPFEDSA-N 1 0 426.558 0.929 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1=O ZINC001583536967 1072058608 /nfs/dbraw/zinc/05/86/08/1072058608.db2.gz GRCYASDWPLPXDI-UHFFFAOYSA-N 1 0 434.518 0.604 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1=O ZINC001583536991 1072058782 /nfs/dbraw/zinc/05/87/82/1072058782.db2.gz IBXOWODXURSMSH-JNLAIUADSA-N 1 0 441.532 0.022 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1=O ZINC001583536992 1072058845 /nfs/dbraw/zinc/05/88/45/1072058845.db2.gz IBXOWODXURSMSH-KWEPMOPPSA-N 1 0 441.532 0.022 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1=O ZINC001583536993 1072059253 /nfs/dbraw/zinc/05/92/53/1072059253.db2.gz IBXOWODXURSMSH-QPGLYAHGSA-N 1 0 441.532 0.022 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1=O ZINC001583536994 1072059232 /nfs/dbraw/zinc/05/92/32/1072059232.db2.gz IBXOWODXURSMSH-VQFGERMISA-N 1 0 441.532 0.022 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1=O ZINC001583537367 1072059389 /nfs/dbraw/zinc/05/93/89/1072059389.db2.gz KPRAPDBFTYFODR-KRWDZBQOSA-N 1 0 426.521 0.648 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1=O ZINC001583537368 1072059500 /nfs/dbraw/zinc/05/95/00/1072059500.db2.gz KPRAPDBFTYFODR-QGZVFWFLSA-N 1 0 426.521 0.648 20 0 ICADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001583537428 1072059526 /nfs/dbraw/zinc/05/95/26/1072059526.db2.gz NIOFVGJXUNXYQW-LLVKDONJSA-N 1 0 431.356 0.861 20 0 ICADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001583537429 1072059362 /nfs/dbraw/zinc/05/93/62/1072059362.db2.gz NIOFVGJXUNXYQW-NSHDSACASA-N 1 0 431.356 0.861 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O ZINC001583537618 1072059277 /nfs/dbraw/zinc/05/92/77/1072059277.db2.gz PCHMARQBUCTEGK-UHFFFAOYSA-N 1 0 436.578 0.466 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1=O ZINC001583538070 1072059588 /nfs/dbraw/zinc/05/95/88/1072059588.db2.gz YJOIEUDRKJEHIL-INIZCTEOSA-N 1 0 435.912 0.777 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1=O ZINC001583538071 1072059319 /nfs/dbraw/zinc/05/93/19/1072059319.db2.gz YJOIEUDRKJEHIL-MRXNPFEDSA-N 1 0 435.912 0.777 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCC1 ZINC001583538076 1072059340 /nfs/dbraw/zinc/05/93/40/1072059340.db2.gz YNYHMIMEIDWGAU-UHFFFAOYSA-N 1 0 441.554 0.115 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cccn3c(I)cnc23)CC1=O ZINC001583538093 1072059553 /nfs/dbraw/zinc/05/95/53/1072059553.db2.gz ZFTABWBZTDGHCA-UHFFFAOYSA-N 1 0 441.273 0.785 20 0 ICADRO Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001583538097 1072059459 /nfs/dbraw/zinc/05/94/59/1072059459.db2.gz ZIXVSJJFIWMKPA-UHFFFAOYSA-N 1 0 448.545 0.913 20 0 ICADRO CN1CCn2nc(C(=O)N3CCN(CCCOCC(F)(F)F)CC3)cc2S1(=O)=O ZINC001583556091 1072060669 /nfs/dbraw/zinc/06/06/69/1072060669.db2.gz VUNCKSAOTNJDEL-UHFFFAOYSA-N 1 0 439.460 0.244 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 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CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001585342810 1072147768 /nfs/dbraw/zinc/14/77/68/1072147768.db2.gz WGADFBARUPOXRG-URXFXBBRSA-N 1 0 442.560 0.722 20 0 ICADRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001585342811 1072147837 /nfs/dbraw/zinc/14/78/37/1072147837.db2.gz WGADFBARUPOXRG-XUZZJYLKSA-N 1 0 442.560 0.722 20 0 ICADRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001585342812 1072147967 /nfs/dbraw/zinc/14/79/67/1072147967.db2.gz WGADFBARUPOXRG-ZJSXRUAMSA-N 1 0 442.560 0.722 20 0 ICADRO CN1CCn2nc(C(=O)N3CCN(CC[N@H+](C)Cc4ccccc4)CC3)cc2S1(=O)=O ZINC001585355536 1072147920 /nfs/dbraw/zinc/14/79/20/1072147920.db2.gz GFYZJWOFSQBAGK-UHFFFAOYSA-N 1 0 446.577 0.407 20 0 ICADRO C[N@H+](CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1)Cc1ccccc1 ZINC001585355560 1072147858 /nfs/dbraw/zinc/14/78/58/1072147858.db2.gz GSLIJXIHVBQKIF-UHFFFAOYSA-N 1 0 445.589 0.823 20 0 ICADRO COC(=O)c1cccn(CC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1=O ZINC001585355961 1072147804 /nfs/dbraw/zinc/14/78/04/1072147804.db2.gz QTHRWXXYRBMYMB-UHFFFAOYSA-N 1 0 426.517 0.911 20 0 ICADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC001585367274 1072148261 /nfs/dbraw/zinc/14/82/61/1072148261.db2.gz BDBDHZIYCRKVDJ-UHFFFAOYSA-N 1 0 428.530 0.701 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1=O ZINC001585367278 1072148383 /nfs/dbraw/zinc/14/83/83/1072148383.db2.gz BHSGORRPISOPPN-UHFFFAOYSA-N 1 0 425.327 0.801 20 0 ICADRO COc1cc2ncn(CCCC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)c(=O)c2cc1OC ZINC001585368237 1072148202 /nfs/dbraw/zinc/14/82/02/1072148202.db2.gz LUMLHZSJIPSOGB-UHFFFAOYSA-N 1 0 445.520 0.426 20 0 ICADRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001585368451 1072148187 /nfs/dbraw/zinc/14/81/87/1072148187.db2.gz PCMRVGRSQSIOMI-UHFFFAOYSA-N 1 0 440.566 0.618 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1=O ZINC001585369300 1072148944 /nfs/dbraw/zinc/14/89/44/1072148944.db2.gz WUVKITJZTQLUQJ-IBGZPJMESA-N 1 0 436.578 0.461 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1=O ZINC001585369301 1072148823 /nfs/dbraw/zinc/14/88/23/1072148823.db2.gz WUVKITJZTQLUQJ-LJQANCHMSA-N 1 0 436.578 0.461 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1=O ZINC001585376893 1072148910 /nfs/dbraw/zinc/14/89/10/1072148910.db2.gz MOWLYMYPSROCMT-UHFFFAOYSA-N 1 0 440.541 0.846 20 0 ICADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC001585376926 1072148924 /nfs/dbraw/zinc/14/89/24/1072148924.db2.gz NXBJQDJYQYGZBL-UHFFFAOYSA-N 1 0 427.523 0.100 20 0 ICADRO COCC1(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001585377135 1072148840 /nfs/dbraw/zinc/14/88/40/1072148840.db2.gz ULOPBNKQRHGEBC-UHFFFAOYSA-N 1 0 426.558 0.883 20 0 ICADRO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001585377200 1072148899 /nfs/dbraw/zinc/14/88/99/1072148899.db2.gz YQBVRYDOKUPOEG-HNNXBMFYSA-N 1 0 425.555 0.212 20 0 ICADRO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001585377201 1072148959 /nfs/dbraw/zinc/14/89/59/1072148959.db2.gz YQBVRYDOKUPOEG-OAHLLOKOSA-N 1 0 425.555 0.212 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CC1 ZINC001585380823 1072149534 /nfs/dbraw/zinc/14/95/34/1072149534.db2.gz DKNGYODSPCHARU-UHFFFAOYSA-N 1 0 426.558 0.665 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 ZINC001585380856 1072149662 /nfs/dbraw/zinc/14/96/62/1072149662.db2.gz FQORLHRNFJNYHX-UHFFFAOYSA-N 1 0 431.459 0.987 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(C)[nH]nc2I)CC1 ZINC001585381597 1072150272 /nfs/dbraw/zinc/15/02/72/1072150272.db2.gz QJAXLIZIVFZXSR-UHFFFAOYSA-N 1 0 433.294 0.949 20 0 ICADRO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001585417564 1072151329 /nfs/dbraw/zinc/15/13/29/1072151329.db2.gz 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0.964 20 0 ICADRO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001585418096 1072151222 /nfs/dbraw/zinc/15/12/22/1072151222.db2.gz OISPBRXOJDELKI-KSZLIROESA-N 1 0 425.618 0.964 20 0 ICADRO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001585418097 1072151347 /nfs/dbraw/zinc/15/13/47/1072151347.db2.gz OISPBRXOJDELKI-KURKYZTESA-N 1 0 425.618 0.964 20 0 ICADRO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001585418098 1072151124 /nfs/dbraw/zinc/15/11/24/1072151124.db2.gz OISPBRXOJDELKI-SQNIBIBYSA-N 1 0 425.618 0.964 20 0 ICADRO Nc1ccccc1S(=O)(=O)NCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001585418388 1072151742 /nfs/dbraw/zinc/15/17/42/1072151742.db2.gz YEINGVSMLHJBIY-UHFFFAOYSA-N 1 0 447.565 0.056 20 0 ICADRO CC(C)(C)OC(=O)N1CC(O)(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001585418442 1072151820 /nfs/dbraw/zinc/15/18/20/1072151820.db2.gz ZTAWIDINUYAQRE-UHFFFAOYSA-N 1 0 434.541 0.477 20 0 ICADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1 ZINC001585461761 1072152361 /nfs/dbraw/zinc/15/23/61/1072152361.db2.gz RJIJIMPADFDDGV-GOSISDBHSA-N 1 0 443.479 0.481 20 0 ICADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1 ZINC001585461762 1072152396 /nfs/dbraw/zinc/15/23/96/1072152396.db2.gz RJIJIMPADFDDGV-SFHVURJKSA-N 1 0 443.479 0.481 20 0 ICADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cn1 ZINC001585475155 1072153878 /nfs/dbraw/zinc/15/38/78/1072153878.db2.gz MIYOHYLMPGIVPV-PMACEKPBSA-N 1 0 439.564 0.869 20 0 ICADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cn1 ZINC001585475156 1072153756 /nfs/dbraw/zinc/15/37/56/1072153756.db2.gz MIYOHYLMPGIVPV-UXHICEINSA-N 1 0 439.564 0.869 20 0 ICADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cn1 ZINC001585475157 1072154440 /nfs/dbraw/zinc/15/44/40/1072154440.db2.gz MIYOHYLMPGIVPV-VQTJNVASSA-N 1 0 439.564 0.869 20 0 ICADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cn1 ZINC001585475158 1072154499 /nfs/dbraw/zinc/15/44/99/1072154499.db2.gz MIYOHYLMPGIVPV-WOJBJXKFSA-N 1 0 439.564 0.869 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cc2)CC1 ZINC001585518793 1072155750 /nfs/dbraw/zinc/15/57/50/1072155750.db2.gz XIHPKQHADZKERT-NQIIRXRSSA-N 1 0 434.562 0.563 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC001585525657 1072155896 /nfs/dbraw/zinc/15/58/96/1072155896.db2.gz SXWNJJAXUPOFIV-UHFFFAOYSA-N 1 0 438.598 0.518 20 0 ICADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1=O ZINC001585549158 1072156945 /nfs/dbraw/zinc/15/69/45/1072156945.db2.gz MMLYUTMQBISWIO-AEFFLSMTSA-N 1 0 445.539 0.906 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1=O ZINC001585549159 1072157000 /nfs/dbraw/zinc/15/70/00/1072157000.db2.gz MMLYUTMQBISWIO-FUHWJXTLSA-N 1 0 445.539 0.906 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1=O ZINC001585549160 1072156906 /nfs/dbraw/zinc/15/69/06/1072156906.db2.gz MMLYUTMQBISWIO-SJLPKXTDSA-N 1 0 445.539 0.906 20 0 ICADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1=O ZINC001585549161 1072156989 /nfs/dbraw/zinc/15/69/89/1072156989.db2.gz MMLYUTMQBISWIO-WMZOPIPTSA-N 1 0 445.539 0.906 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001585602150 1072160463 /nfs/dbraw/zinc/16/04/63/1072160463.db2.gz PNNTUIWYHGQJQH-AWEZNQCLSA-N 1 0 432.518 0.934 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001585602151 1072160280 /nfs/dbraw/zinc/16/02/80/1072160280.db2.gz PNNTUIWYHGQJQH-CQSZACIVSA-N 1 0 432.518 0.934 20 0 ICADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC001585608520 1072160867 /nfs/dbraw/zinc/16/08/67/1072160867.db2.gz GTXBVSGRCBRLOG-FQEVSTJZSA-N 1 0 428.508 0.914 20 0 ICADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001585614416 1072160787 /nfs/dbraw/zinc/16/07/87/1072160787.db2.gz OLPUXIZGAHYUQG-AZUAARDMSA-N 1 0 441.594 0.971 20 0 ICADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001585614417 1072160891 /nfs/dbraw/zinc/16/08/91/1072160891.db2.gz OLPUXIZGAHYUQG-ICSRJNTNSA-N 1 0 441.594 0.971 20 0 ICADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001585614418 1072160826 /nfs/dbraw/zinc/16/08/26/1072160826.db2.gz OLPUXIZGAHYUQG-QUCCMNQESA-N 1 0 441.594 0.971 20 0 ICADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001585614419 1072160917 /nfs/dbraw/zinc/16/09/17/1072160917.db2.gz OLPUXIZGAHYUQG-UYAOXDASSA-N 1 0 441.594 0.971 20 0 ICADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC001585636293 1072162312 /nfs/dbraw/zinc/16/23/12/1072162312.db2.gz IPLZPIAWAMZCEF-UHFFFAOYSA-N 1 0 434.518 0.595 20 0 ICADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC3C[NH+](C)C3)CC2)o1 ZINC001585637296 1072162102 /nfs/dbraw/zinc/16/21/02/1072162102.db2.gz ZDWHTGIUOCQCTC-UHFFFAOYSA-N 1 0 427.523 0.877 20 0 ICADRO Cn1c2sc(C(=O)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2c(=O)n(C)c1=O ZINC001585656929 1072163536 /nfs/dbraw/zinc/16/35/36/1072163536.db2.gz LXYZIVPCZPRRPG-UHFFFAOYSA-N 1 0 443.529 0.520 20 0 ICADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(Cl)o2)cc1 ZINC001585656942 1072163644 /nfs/dbraw/zinc/16/36/44/1072163644.db2.gz MMGOFBKZGHQDCO-UHFFFAOYSA-N 1 0 428.898 0.802 20 0 ICADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 ZINC001585657150 1072163526 /nfs/dbraw/zinc/16/35/26/1072163526.db2.gz SYTJDGFZWYJOEL-UHFFFAOYSA-N 1 0 435.525 0.235 20 0 ICADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CSc2nnnn2CC(F)(F)F)cc1 ZINC001585657151 1072163567 /nfs/dbraw/zinc/16/35/67/1072163567.db2.gz TWDLHIZTLXAXEQ-UHFFFAOYSA-N 1 0 445.471 0.935 20 0 ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001585665905 1072163611 /nfs/dbraw/zinc/16/36/11/1072163611.db2.gz IYTRMXVAFXINCL-CYBMUJFWSA-N 1 0 426.539 0.250 20 0 ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001585665907 1072164399 /nfs/dbraw/zinc/16/43/99/1072164399.db2.gz IYTRMXVAFXINCL-ZDUSSCGKSA-N 1 0 426.539 0.250 20 0 ICADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001585666634 1072164519 /nfs/dbraw/zinc/16/45/19/1072164519.db2.gz LMDWFRTYPRWHKK-PMACEKPBSA-N 1 0 436.597 0.802 20 0 ICADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001585666637 1072164371 /nfs/dbraw/zinc/16/43/71/1072164371.db2.gz LMDWFRTYPRWHKK-UXHICEINSA-N 1 0 436.597 0.802 20 0 ICADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001585666638 1072164325 /nfs/dbraw/zinc/16/43/25/1072164325.db2.gz LMDWFRTYPRWHKK-VQTJNVASSA-N 1 0 436.597 0.802 20 0 ICADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001585666640 1072164388 /nfs/dbraw/zinc/16/43/88/1072164388.db2.gz LMDWFRTYPRWHKK-WOJBJXKFSA-N 1 0 436.597 0.802 20 0 ICADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671246 1072164483 /nfs/dbraw/zinc/16/44/83/1072164483.db2.gz JQWQACPVNUJKMI-CUWPLCDZSA-N 1 0 432.540 0.615 20 0 ICADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671249 1072164111 /nfs/dbraw/zinc/16/41/11/1072164111.db2.gz JQWQACPVNUJKMI-DSKINZAPSA-N 1 0 432.540 0.615 20 0 ICADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671251 1072164432 /nfs/dbraw/zinc/16/44/32/1072164432.db2.gz JQWQACPVNUJKMI-FBBABVLZSA-N 1 0 432.540 0.615 20 0 ICADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)CC1 ZINC001585671253 1072164213 /nfs/dbraw/zinc/16/42/13/1072164213.db2.gz JQWQACPVNUJKMI-HFSMHLIXSA-N 1 0 432.540 0.615 20 0 ICADRO CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC001585675731 1072164346 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/nfs/dbraw/zinc/16/49/53/1072164953.db2.gz SYVQFVAUUNIYAH-AQNXPRMDSA-N 1 0 438.532 0.430 20 0 ICADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)c2)C1 ZINC001585677083 1072165077 /nfs/dbraw/zinc/16/50/77/1072165077.db2.gz SYVQFVAUUNIYAH-HSALFYBXSA-N 1 0 438.532 0.430 20 0 ICADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)c2)C1 ZINC001585677084 1072165114 /nfs/dbraw/zinc/16/51/14/1072165114.db2.gz SYVQFVAUUNIYAH-VAMGGRTRSA-N 1 0 438.532 0.430 20 0 ICADRO CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001585743968 1072168419 /nfs/dbraw/zinc/16/84/19/1072168419.db2.gz CDNJFDDYZDCZHX-APWZRJJASA-N 1 0 433.528 0.426 20 0 ICADRO CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001585743969 1072168622 /nfs/dbraw/zinc/16/86/22/1072168622.db2.gz CDNJFDDYZDCZHX-LPHOPBHVSA-N 1 0 433.528 0.426 20 0 ICADRO CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001585743970 1072168643 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/nfs/dbraw/zinc/16/83/51/1072168351.db2.gz FSEHRIYOJSCZCT-QGZVFWFLSA-N 1 0 440.566 0.236 20 0 ICADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC001585754071 1072168335 /nfs/dbraw/zinc/16/83/35/1072168335.db2.gz NKNFGYFELJJOMO-KRWDZBQOSA-N 1 0 425.551 0.890 20 0 ICADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC001585754072 1072168500 /nfs/dbraw/zinc/16/85/00/1072168500.db2.gz NKNFGYFELJJOMO-QGZVFWFLSA-N 1 0 425.551 0.890 20 0 ICADRO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCO1 ZINC001585763761 1072169057 /nfs/dbraw/zinc/16/90/57/1072169057.db2.gz PQPQDTKUXHSGLJ-DLBZAZTESA-N 1 0 447.598 0.980 20 0 ICADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCO1 ZINC001585763762 1072169119 /nfs/dbraw/zinc/16/91/19/1072169119.db2.gz PQPQDTKUXHSGLJ-IAGOWNOFSA-N 1 0 447.598 0.980 20 0 ICADRO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCO1 ZINC001585763763 1072169191 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C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001586295802 1072200737 /nfs/dbraw/zinc/20/07/37/1072200737.db2.gz XUJJUUGJZYWQQR-QGZVFWFLSA-N 1 0 425.574 0.550 20 0 ICADRO C[NH+](C)C1(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CCOCC1 ZINC001586300043 1072200791 /nfs/dbraw/zinc/20/07/91/1072200791.db2.gz CLMPJPFYDBZNOI-FOIQADDNSA-N 1 0 445.582 0.495 20 0 ICADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCOCC1 ZINC001586300920 1072200685 /nfs/dbraw/zinc/20/06/85/1072200685.db2.gz YGANHWSDTFUCOB-UHFFFAOYSA-N 1 0 425.551 0.673 20 0 ICADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)c1 ZINC001586314732 1072201772 /nfs/dbraw/zinc/20/17/72/1072201772.db2.gz JRDVJFLCMWXNDM-INIZCTEOSA-N 1 0 444.513 0.941 20 0 ICADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)c1 ZINC001586314733 1072201869 /nfs/dbraw/zinc/20/18/69/1072201869.db2.gz JRDVJFLCMWXNDM-MRXNPFEDSA-N 1 0 444.513 0.941 20 0 ICADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC001586328022 1072202356 /nfs/dbraw/zinc/20/23/56/1072202356.db2.gz KGMWFYVVAHHYMH-UHFFFAOYSA-N 1 0 447.561 0.810 20 0 ICADRO COc1cccc(C[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC[NH2+]2)c1 ZINC001586357362 1072202832 /nfs/dbraw/zinc/20/28/32/1072202832.db2.gz CZZFSELXVFUPIC-CYBMUJFWSA-N 1 0 437.294 0.763 20 0 ICADRO COc1cccc(C[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC[NH2+]2)c1 ZINC001586357363 1072202942 /nfs/dbraw/zinc/20/29/42/1072202942.db2.gz CZZFSELXVFUPIC-ZDUSSCGKSA-N 1 0 437.294 0.763 20 0 ICADRO COc1cccc(C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC[NH2+]2)c1 ZINC001586365018 1072202982 /nfs/dbraw/zinc/20/29/82/1072202982.db2.gz PTAJZPFUGMVQGF-PMACEKPBSA-N 1 0 430.549 0.219 20 0 ICADRO COc1cccc(C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC[NH2+]2)c1 ZINC001586365020 1072203013 /nfs/dbraw/zinc/20/30/13/1072203013.db2.gz PTAJZPFUGMVQGF-UXHICEINSA-N 1 0 430.549 0.219 20 0 ICADRO COc1cccc(C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC[NH2+]2)c1 ZINC001586365022 1072203371 /nfs/dbraw/zinc/20/33/71/1072203371.db2.gz PTAJZPFUGMVQGF-VQTJNVASSA-N 1 0 430.549 0.219 20 0 ICADRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC[NH2+]2)c1 ZINC001586365024 1072203436 /nfs/dbraw/zinc/20/34/36/1072203436.db2.gz PTAJZPFUGMVQGF-WOJBJXKFSA-N 1 0 430.549 0.219 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)[C@H]1c1nccn1C ZINC001586368878 1072203358 /nfs/dbraw/zinc/20/33/58/1072203358.db2.gz SXCPJIWVWSLVDY-PMACEKPBSA-N 1 0 426.521 0.884 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001586375548 1072203808 /nfs/dbraw/zinc/20/38/08/1072203808.db2.gz GMGVMFJCIVCDNC-KRWDZBQOSA-N 1 0 441.454 0.937 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001586375549 1072203900 /nfs/dbraw/zinc/20/39/00/1072203900.db2.gz GMGVMFJCIVCDNC-QGZVFWFLSA-N 1 0 441.454 0.937 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cn1 ZINC001586387858 1072204409 /nfs/dbraw/zinc/20/44/09/1072204409.db2.gz CPDKUJWIWLKOLE-CYBMUJFWSA-N 1 0 434.447 0.831 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cn1 ZINC001586387859 1072204333 /nfs/dbraw/zinc/20/43/33/1072204333.db2.gz CPDKUJWIWLKOLE-ZDUSSCGKSA-N 1 0 434.447 0.831 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2ccccc2N2CCOCC2)cn1 ZINC001586388430 1072204320 /nfs/dbraw/zinc/20/43/20/1072204320.db2.gz JQJVKHPXHKJROM-UHFFFAOYSA-N 1 0 428.537 0.969 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccncc2NC(=O)C(F)(F)F)cn1 ZINC001586388568 1072204204 /nfs/dbraw/zinc/20/42/04/1072204204.db2.gz LELMNUUIMZLFLO-UHFFFAOYSA-N 1 0 427.387 0.709 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)cn1 ZINC001586388873 1072204310 /nfs/dbraw/zinc/20/43/10/1072204310.db2.gz PQJJQTOYHUMZKW-HNNXBMFYSA-N 1 0 435.506 0.124 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)cn1 ZINC001586388883 1072204349 /nfs/dbraw/zinc/20/43/49/1072204349.db2.gz PQJJQTOYHUMZKW-OAHLLOKOSA-N 1 0 435.506 0.124 20 0 ICADRO Cc1c(Cl)c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)sc1S(N)(=O)=O ZINC001586389099 1072204302 /nfs/dbraw/zinc/20/43/02/1072204302.db2.gz SFPLHAGPKUXJPE-UHFFFAOYSA-N 1 0 448.958 0.484 20 0 ICADRO Cn1nc(I)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001586389232 1072204289 /nfs/dbraw/zinc/20/42/89/1072204289.db2.gz WIWAZSWLGVTDRA-UHFFFAOYSA-N 1 0 445.265 0.151 20 0 ICADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC23CCC[NH+](CCC2)C3)c1 ZINC001586421340 1072204760 /nfs/dbraw/zinc/20/47/60/1072204760.db2.gz RSXOUBAHNBXZCX-UHFFFAOYSA-N 1 0 428.942 0.709 20 0 ICADRO COCC[N@@H+]1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C(C)(C)C1 ZINC001586445686 1072206348 /nfs/dbraw/zinc/20/63/48/1072206348.db2.gz FUPSFGGEKRLZBV-UHFFFAOYSA-N 1 0 441.330 0.462 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](CCOC)CC2(C)C)c1 ZINC001586445754 1072206282 /nfs/dbraw/zinc/20/62/82/1072206282.db2.gz HHKKBRQIEHUDKT-UHFFFAOYSA-N 1 0 442.582 0.448 20 0 ICADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001586452451 1072206439 /nfs/dbraw/zinc/20/64/39/1072206439.db2.gz AQZYERQOJVSAQO-GOSISDBHSA-N 1 0 434.562 0.944 20 0 ICADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001586452452 1072206502 /nfs/dbraw/zinc/20/65/02/1072206502.db2.gz AQZYERQOJVSAQO-SFHVURJKSA-N 1 0 434.562 0.944 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001586457135 1072206335 /nfs/dbraw/zinc/20/63/35/1072206335.db2.gz YCUUALNIGFPIMW-CVEARBPZSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001586457136 1072206422 /nfs/dbraw/zinc/20/64/22/1072206422.db2.gz YCUUALNIGFPIMW-HOTGVXAUSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001586457137 1072206532 /nfs/dbraw/zinc/20/65/32/1072206532.db2.gz YCUUALNIGFPIMW-HZPDHXFCSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001586457138 1072206309 /nfs/dbraw/zinc/20/63/09/1072206309.db2.gz YCUUALNIGFPIMW-JKSUJKDBSA-N 1 0 425.551 0.576 20 0 ICADRO CCc1c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC001586466612 1072208130 /nfs/dbraw/zinc/20/81/30/1072208130.db2.gz YAZUXJFRCHDIPL-HNNXBMFYSA-N 1 0 443.548 0.910 20 0 ICADRO CCc1c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC001586466613 1072208054 /nfs/dbraw/zinc/20/80/54/1072208054.db2.gz YAZUXJFRCHDIPL-OAHLLOKOSA-N 1 0 443.548 0.910 20 0 ICADRO O=C([C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001586486497 1072208038 /nfs/dbraw/zinc/20/80/38/1072208038.db2.gz PPKCAUHCGGAKAF-GOSISDBHSA-N 1 0 445.969 0.550 20 0 ICADRO O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001586486498 1072208197 /nfs/dbraw/zinc/20/81/97/1072208197.db2.gz PPKCAUHCGGAKAF-SFHVURJKSA-N 1 0 445.969 0.550 20 0 ICADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)cc2)CC1 ZINC001586509130 1072209662 /nfs/dbraw/zinc/20/96/62/1072209662.db2.gz WVGDBWGSDNRBEJ-UHFFFAOYSA-N 1 0 442.520 0.855 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001586533980 1072213098 /nfs/dbraw/zinc/21/30/98/1072213098.db2.gz DERWIXOPDBXLTE-KBXCAEBGSA-N 1 0 425.555 0.016 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001586533982 1072212613 /nfs/dbraw/zinc/21/26/13/1072212613.db2.gz DERWIXOPDBXLTE-KDOFPFPSSA-N 1 0 425.555 0.016 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001586533984 1072212833 /nfs/dbraw/zinc/21/28/33/1072212833.db2.gz DERWIXOPDBXLTE-KSSFIOAISA-N 1 0 425.555 0.016 20 0 ICADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001586533986 1072212796 /nfs/dbraw/zinc/21/27/96/1072212796.db2.gz DERWIXOPDBXLTE-RDTXWAMCSA-N 1 0 425.555 0.016 20 0 ICADRO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)CC2=O)cc1OC ZINC001586534549 1072212940 /nfs/dbraw/zinc/21/29/40/1072212940.db2.gz LKYLVNCLXLYWFO-BHIYHBOVSA-N 1 0 432.565 0.845 20 0 ICADRO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)CC2=O)cc1OC ZINC001586534550 1072212988 /nfs/dbraw/zinc/21/29/88/1072212988.db2.gz LKYLVNCLXLYWFO-QRQLOZEOSA-N 1 0 432.565 0.845 20 0 ICADRO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)CC2=O)cc1OC ZINC001586534551 1072212644 /nfs/dbraw/zinc/21/26/44/1072212644.db2.gz LKYLVNCLXLYWFO-QXAKKESOSA-N 1 0 432.565 0.845 20 0 ICADRO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)CC2=O)cc1OC ZINC001586534552 1072212699 /nfs/dbraw/zinc/21/26/99/1072212699.db2.gz LKYLVNCLXLYWFO-UHOSZYNNSA-N 1 0 432.565 0.845 20 0 ICADRO C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1C[N@H+](C)CCN1C ZINC001586534756 1072212723 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C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001587591513 1072277288 /nfs/dbraw/zinc/27/72/88/1072277288.db2.gz VJVHEXZNHITTGX-GVDBMIGSSA-N 1 0 427.567 0.965 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001587591514 1072277199 /nfs/dbraw/zinc/27/71/99/1072277199.db2.gz VJVHEXZNHITTGX-ULQDDVLXSA-N 1 0 427.567 0.965 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001587591515 1072277430 /nfs/dbraw/zinc/27/74/30/1072277430.db2.gz VJVHEXZNHITTGX-YESZJQIVSA-N 1 0 427.567 0.965 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001587591516 1072277556 /nfs/dbraw/zinc/27/75/56/1072277556.db2.gz VJVHEXZNHITTGX-ZACQAIPSSA-N 1 0 427.567 0.965 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC001587609330 1072278442 /nfs/dbraw/zinc/27/84/42/1072278442.db2.gz JNFIYQQQFSCLSW-YQQQUEKLSA-N 1 0 434.562 0.894 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001587610171 1072278495 /nfs/dbraw/zinc/27/84/95/1072278495.db2.gz SJUHKAQZDYDXQZ-YQQQUEKLSA-N 1 0 434.562 0.894 20 0 ICADRO CN1CCn2nc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2S1(=O)=O ZINC001587650055 1072281620 /nfs/dbraw/zinc/28/16/20/1072281620.db2.gz OEOGBMGNTIRRHJ-UHFFFAOYSA-N 1 0 446.577 0.455 20 0 ICADRO O=C(CC1(n2cnnn2)CCOCC1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001587650748 1072281378 /nfs/dbraw/zinc/28/13/78/1072281378.db2.gz XLUXXEDCJMSJFG-UHFFFAOYSA-N 1 0 427.553 0.893 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1=O ZINC001587717791 1072284898 /nfs/dbraw/zinc/28/48/98/1072284898.db2.gz XXDIVDVNQYKUOF-BDXSIMOUSA-N 1 0 438.569 0.806 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1=O ZINC001587717792 1072284971 /nfs/dbraw/zinc/28/49/71/1072284971.db2.gz XXDIVDVNQYKUOF-BRSBDYLESA-N 1 0 438.569 0.806 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1=O ZINC001587717793 1072285055 /nfs/dbraw/zinc/28/50/55/1072285055.db2.gz XXDIVDVNQYKUOF-TVFCKZIOSA-N 1 0 438.569 0.806 20 0 ICADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1=O ZINC001587717794 1072285070 /nfs/dbraw/zinc/28/50/70/1072285070.db2.gz XXDIVDVNQYKUOF-ZJPYXAASSA-N 1 0 438.569 0.806 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001587717957 1072285008 /nfs/dbraw/zinc/28/50/08/1072285008.db2.gz ASRBEJZDODGSRS-CYBMUJFWSA-N 1 0 448.998 0.787 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001587717958 1072284944 /nfs/dbraw/zinc/28/49/44/1072284944.db2.gz ASRBEJZDODGSRS-ZDUSSCGKSA-N 1 0 448.998 0.787 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001587718022 1072285612 /nfs/dbraw/zinc/28/56/12/1072285612.db2.gz DTPZKUAOTYDUKR-NRFANRHFSA-N 1 0 437.541 0.765 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001587718023 1072285490 /nfs/dbraw/zinc/28/54/90/1072285490.db2.gz DTPZKUAOTYDUKR-OAQYLSRUSA-N 1 0 437.541 0.765 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001587718523 1072285598 /nfs/dbraw/zinc/28/55/98/1072285598.db2.gz QLZKHAPVHYTGKA-INIZCTEOSA-N 1 0 449.556 0.696 20 0 ICADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001587718524 1072285505 /nfs/dbraw/zinc/28/55/05/1072285505.db2.gz QLZKHAPVHYTGKA-MRXNPFEDSA-N 1 0 449.556 0.696 20 0 ICADRO CC[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)[NH+](C)C ZINC001587742818 1072286979 /nfs/dbraw/zinc/28/69/79/1072286979.db2.gz QAAHGBPPZVDNQM-KRWDZBQOSA-N 1 0 425.555 0.091 20 0 ICADRO CC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)[NH+](C)C ZINC001587742819 1072286846 /nfs/dbraw/zinc/28/68/46/1072286846.db2.gz QAAHGBPPZVDNQM-QGZVFWFLSA-N 1 0 425.555 0.091 20 0 ICADRO Cc1nc(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)[nH]c1C ZINC001587804904 1072289321 /nfs/dbraw/zinc/28/93/21/1072289321.db2.gz BALDLRJDWGYXOL-HNNXBMFYSA-N 1 0 428.536 0.425 20 0 ICADRO Cc1nc(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)[nH]c1C ZINC001587804905 1072289217 /nfs/dbraw/zinc/28/92/17/1072289217.db2.gz BALDLRJDWGYXOL-OAHLLOKOSA-N 1 0 428.536 0.425 20 0 ICADRO Cc1nc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]c1C ZINC001587805001 1072289182 /nfs/dbraw/zinc/28/91/82/1072289182.db2.gz FOLJKARRRBJYON-UHFFFAOYSA-N 1 0 433.534 0.956 20 0 ICADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001587806913 1072289794 /nfs/dbraw/zinc/28/97/94/1072289794.db2.gz BQTDPTNEDLWOSG-UHFFFAOYSA-N 1 0 426.517 0.629 20 0 ICADRO COCCOCC(=O)NC1CCC(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CC1 ZINC001587812472 1072290354 /nfs/dbraw/zinc/29/03/54/1072290354.db2.gz GNHVXNNTAUDNLV-UHFFFAOYSA-N 1 0 425.570 0.895 20 0 ICADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001587813785 1072290229 /nfs/dbraw/zinc/29/02/29/1072290229.db2.gz ZGERPOMNPXKFQJ-GOSISDBHSA-N 1 0 434.512 0.299 20 0 ICADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001587813788 1072290214 /nfs/dbraw/zinc/29/02/14/1072290214.db2.gz ZGERPOMNPXKFQJ-SFHVURJKSA-N 1 0 434.512 0.299 20 0 ICADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC001587816826 1072290343 /nfs/dbraw/zinc/29/03/43/1072290343.db2.gz GILJWMMQXDBMHM-UHFFFAOYSA-N 1 0 439.578 0.979 20 0 ICADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC2)cc1 ZINC001587861538 1072293204 /nfs/dbraw/zinc/29/32/04/1072293204.db2.gz YKLIAOMQBPDVPS-UHFFFAOYSA-N 1 0 438.594 0.863 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001587866697 1072294116 /nfs/dbraw/zinc/29/41/16/1072294116.db2.gz NLGSHUMATMLYEK-HNNXBMFYSA-N 1 0 433.534 0.745 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001587866698 1072294201 /nfs/dbraw/zinc/29/42/01/1072294201.db2.gz NLGSHUMATMLYEK-OAHLLOKOSA-N 1 0 433.534 0.745 20 0 ICADRO NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001587870153 1072294873 /nfs/dbraw/zinc/29/48/73/1072294873.db2.gz YOATVSUGSMEYDT-MHJFOBGBSA-N 1 0 430.549 0.597 20 0 ICADRO NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001587870156 1072294609 /nfs/dbraw/zinc/29/46/09/1072294609.db2.gz YOATVSUGSMEYDT-SOAGJPPSSA-N 1 0 430.549 0.597 20 0 ICADRO CC1(C)CC(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC(C)(C)[NH2+]1 ZINC001587872042 1072294595 /nfs/dbraw/zinc/29/45/95/1072294595.db2.gz UWLJPWITKWNZFN-UHFFFAOYSA-N 1 0 431.580 0.794 20 0 ICADRO Cn1c2ncn(CCC(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)c2c(=O)n(C)c1=O ZINC001587925047 1072296136 /nfs/dbraw/zinc/29/61/36/1072296136.db2.gz RGDFYILASRHPJL-UHFFFAOYSA-N 1 0 438.532 0.995 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 ZINC001587975864 1072298342 /nfs/dbraw/zinc/29/83/42/1072298342.db2.gz POURLVZWOMLIJD-HNNXBMFYSA-N 1 0 442.261 0.406 20 0 ICADRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 ZINC001587975865 1072298428 /nfs/dbraw/zinc/29/84/28/1072298428.db2.gz POURLVZWOMLIJD-OAHLLOKOSA-N 1 0 442.261 0.406 20 0 ICADRO CCc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001587976004 1072298323 /nfs/dbraw/zinc/29/83/23/1072298323.db2.gz VKBKVGUWRLONRX-FQEVSTJZSA-N 1 0 425.551 0.409 20 0 ICADRO CCc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001587976005 1072298939 /nfs/dbraw/zinc/29/89/39/1072298939.db2.gz VKBKVGUWRLONRX-HXUWFJFHSA-N 1 0 425.551 0.409 20 0 ICADRO CCc1c(C(=O)N[C@H]2CCC[C@H]2[NH+]2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017688 1072302334 /nfs/dbraw/zinc/30/23/34/1072302334.db2.gz QMSFGDJJYVQVJJ-DLBZAZTESA-N 1 0 429.521 0.302 20 0 ICADRO CCc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017689 1072302130 /nfs/dbraw/zinc/30/21/30/1072302130.db2.gz QMSFGDJJYVQVJJ-IAGOWNOFSA-N 1 0 429.521 0.302 20 0 ICADRO CCc1c(C(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017691 1072302279 /nfs/dbraw/zinc/30/22/79/1072302279.db2.gz QMSFGDJJYVQVJJ-IRXDYDNUSA-N 1 0 429.521 0.302 20 0 ICADRO CCc1c(C(=O)N[C@@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017692 1072302374 /nfs/dbraw/zinc/30/23/74/1072302374.db2.gz QMSFGDJJYVQVJJ-SJORKVTESA-N 1 0 429.521 0.302 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001588017982 1072302207 /nfs/dbraw/zinc/30/22/07/1072302207.db2.gz SKBBLQRVUSQTIK-CEXWTWQISA-N 1 0 434.512 0.222 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001588017984 1072302391 /nfs/dbraw/zinc/30/23/91/1072302391.db2.gz SKBBLQRVUSQTIK-FHWLQOOXSA-N 1 0 434.512 0.222 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001588017985 1072302187 /nfs/dbraw/zinc/30/21/87/1072302187.db2.gz SKBBLQRVUSQTIK-GBESFXJTSA-N 1 0 434.512 0.222 20 0 ICADRO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001588017987 1072302314 /nfs/dbraw/zinc/30/23/14/1072302314.db2.gz SKBBLQRVUSQTIK-QYZOEREBSA-N 1 0 434.512 0.222 20 0 ICADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001588052082 1072308871 /nfs/dbraw/zinc/30/88/71/1072308871.db2.gz SRTUZQGEXQLMHO-QGZVFWFLSA-N 1 0 447.561 0.905 20 0 ICADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC001588055958 1072311838 /nfs/dbraw/zinc/31/18/38/1072311838.db2.gz BKUCXSJPSNPYDN-GOSISDBHSA-N 1 0 442.626 0.335 20 0 ICADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC001588055960 1072311795 /nfs/dbraw/zinc/31/17/95/1072311795.db2.gz BKUCXSJPSNPYDN-SFHVURJKSA-N 1 0 442.626 0.335 20 0 ICADRO CC[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)cc2F)CC1 ZINC001588062244 1072312399 /nfs/dbraw/zinc/31/23/99/1072312399.db2.gz OQAOMMIJTOCTRM-UHFFFAOYSA-N 1 0 438.529 0.927 20 0 ICADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)cc2F)CC1 ZINC001588068019 1072313457 /nfs/dbraw/zinc/31/34/57/1072313457.db2.gz ZIHZVRZQBBDUNY-VAMGGRTRSA-N 1 0 444.511 0.830 20 0 ICADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC001588123277 1072319299 /nfs/dbraw/zinc/31/92/99/1072319299.db2.gz CYNJKSXKGCCLAB-UHFFFAOYSA-N 1 0 444.985 0.675 20 0 ICADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC001588123575 1072319112 /nfs/dbraw/zinc/31/91/12/1072319112.db2.gz NFFOMIJBGKKNCA-KBXCAEBGSA-N 1 0 431.942 0.637 20 0 ICADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC001588123576 1072319264 /nfs/dbraw/zinc/31/92/64/1072319264.db2.gz NFFOMIJBGKKNCA-KDOFPFPSSA-N 1 0 431.942 0.637 20 0 ICADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC001588123577 1072318995 /nfs/dbraw/zinc/31/89/95/1072318995.db2.gz NFFOMIJBGKKNCA-KSSFIOAISA-N 1 0 431.942 0.637 20 0 ICADRO 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Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001588307442 1072331493 /nfs/dbraw/zinc/33/14/93/1072331493.db2.gz PVERNWSVSAFZPA-MRXNPFEDSA-N 1 0 428.555 0.229 20 0 ICADRO CN(CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccn1 ZINC001588309522 1072331419 /nfs/dbraw/zinc/33/14/19/1072331419.db2.gz SSLCKLLMJGDGLE-AEFFLSMTSA-N 1 0 436.509 0.987 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001588679516 1072335791 /nfs/dbraw/zinc/33/57/91/1072335791.db2.gz OIUITVIZRJRJSR-INIZCTEOSA-N 1 0 440.566 0.949 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001588679517 1072335604 /nfs/dbraw/zinc/33/56/04/1072335604.db2.gz OIUITVIZRJRJSR-MRXNPFEDSA-N 1 0 440.566 0.949 20 0 ICADRO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001588853527 1072342823 /nfs/dbraw/zinc/34/28/23/1072342823.db2.gz YSCWFCXJPKROKA-IBGZPJMESA-N 1 0 438.594 0.576 20 0 ICADRO 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ICADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001596057942 1072446191 /nfs/dbraw/zinc/44/61/91/1072446191.db2.gz NCNFRPWOPPBCAT-UHFFFAOYSA-N 1 0 449.533 0.428 20 0 ICADRO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001596058179 1072446717 /nfs/dbraw/zinc/44/67/17/1072446717.db2.gz NUWNPLJGEZWPIK-KRWDZBQOSA-N 1 0 435.525 0.906 20 0 ICADRO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001596058181 1072446613 /nfs/dbraw/zinc/44/66/13/1072446613.db2.gz NUWNPLJGEZWPIK-QGZVFWFLSA-N 1 0 435.525 0.906 20 0 ICADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001596059625 1072446630 /nfs/dbraw/zinc/44/66/30/1072446630.db2.gz SBCFTBPUPLFEBP-BGTYHANMSA-N 1 0 443.566 0.646 20 0 ICADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001596059626 1072446569 /nfs/dbraw/zinc/44/65/69/1072446569.db2.gz SBCFTBPUPLFEBP-LAVFITLUSA-N 1 0 443.566 0.646 20 0 ICADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001596059627 1072446682 /nfs/dbraw/zinc/44/66/82/1072446682.db2.gz SBCFTBPUPLFEBP-NRSFXHEJSA-N 1 0 443.566 0.646 20 0 ICADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001596059628 1072446662 /nfs/dbraw/zinc/44/66/62/1072446662.db2.gz SBCFTBPUPLFEBP-UBDQQSCGSA-N 1 0 443.566 0.646 20 0 ICADRO C[NH+](C)CCn1ncc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c1-c1ccccc1 ZINC001596077579 1072448512 /nfs/dbraw/zinc/44/85/12/1072448512.db2.gz ZJMMHBKRPFAEPZ-INIZCTEOSA-N 1 0 434.566 0.757 20 0 ICADRO C[NH+](C)CCn1ncc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1-c1ccccc1 ZINC001596077583 1072448529 /nfs/dbraw/zinc/44/85/29/1072448529.db2.gz ZJMMHBKRPFAEPZ-MRXNPFEDSA-N 1 0 434.566 0.757 20 0 ICADRO CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596087193 1072449019 /nfs/dbraw/zinc/44/90/19/1072449019.db2.gz ZJUAMUGSLHOEBW-NRFANRHFSA-N 1 0 442.524 0.051 20 0 ICADRO CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596087197 1072449727 /nfs/dbraw/zinc/44/97/27/1072449727.db2.gz ZJUAMUGSLHOEBW-OAQYLSRUSA-N 1 0 442.524 0.051 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001596092238 1072450217 /nfs/dbraw/zinc/45/02/17/1072450217.db2.gz VWSGHWBUISHFRC-PBHICJAKSA-N 1 0 441.602 0.287 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001596092239 1072450295 /nfs/dbraw/zinc/45/02/95/1072450295.db2.gz VWSGHWBUISHFRC-RHSMWYFYSA-N 1 0 441.602 0.287 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001596092240 1072450252 /nfs/dbraw/zinc/45/02/52/1072450252.db2.gz VWSGHWBUISHFRC-WMLDXEAASA-N 1 0 441.602 0.287 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001596092241 1072450212 /nfs/dbraw/zinc/45/02/12/1072450212.db2.gz VWSGHWBUISHFRC-YOEHRIQHSA-N 1 0 441.602 0.287 20 0 ICADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1 ZINC001596096937 1072450874 /nfs/dbraw/zinc/45/08/74/1072450874.db2.gz BEEJRSXLVDOPCP-INIZCTEOSA-N 1 0 425.555 0.612 20 0 ICADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1 ZINC001596096938 1072450947 /nfs/dbraw/zinc/45/09/47/1072450947.db2.gz BEEJRSXLVDOPCP-MRXNPFEDSA-N 1 0 425.555 0.612 20 0 ICADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)C1CN(C)CC[N@H+](C)C1)C2 ZINC001596107392 1072451622 /nfs/dbraw/zinc/45/16/22/1072451622.db2.gz LWAMDGGBGUDTGT-HYFFOGBASA-N 1 0 438.569 0.785 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001596109847 1072452021 /nfs/dbraw/zinc/45/20/21/1072452021.db2.gz NSYDLWZQALEIPV-KRWDZBQOSA-N 1 0 433.557 0.399 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001596109850 1072452081 /nfs/dbraw/zinc/45/20/81/1072452081.db2.gz NSYDLWZQALEIPV-QGZVFWFLSA-N 1 0 433.557 0.399 20 0 ICADRO CC(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001596110334 1072452217 /nfs/dbraw/zinc/45/22/17/1072452217.db2.gz SKQINRIQBZBRTI-UHFFFAOYSA-N 1 0 444.584 0.973 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001596110382 1072452179 /nfs/dbraw/zinc/45/21/79/1072452179.db2.gz URVXWCXRGCLPLM-MOPGFXCFSA-N 1 0 447.584 0.645 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001596110383 1072451970 /nfs/dbraw/zinc/45/19/70/1072451970.db2.gz URVXWCXRGCLPLM-OALUTQOASA-N 1 0 447.584 0.645 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001596110384 1072452061 /nfs/dbraw/zinc/45/20/61/1072452061.db2.gz URVXWCXRGCLPLM-RBUKOAKNSA-N 1 0 447.584 0.645 20 0 ICADRO CC(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001596110385 1072452157 /nfs/dbraw/zinc/45/21/57/1072452157.db2.gz URVXWCXRGCLPLM-RTBURBONSA-N 1 0 447.584 0.645 20 0 ICADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC([NH2+]C2CCOCC2)C1 ZINC001596117696 1072453309 /nfs/dbraw/zinc/45/33/09/1072453309.db2.gz SFXDJRPWXBZRMR-UHFFFAOYSA-N 1 0 432.340 0.707 20 0 ICADRO CC(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001596127386 1072453782 /nfs/dbraw/zinc/45/37/82/1072453782.db2.gz XUEVAXYZHWIXRU-IBGZPJMESA-N 1 0 447.584 0.306 20 0 ICADRO CC(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001596127387 1072453585 /nfs/dbraw/zinc/45/35/85/1072453585.db2.gz XUEVAXYZHWIXRU-LJQANCHMSA-N 1 0 447.584 0.306 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@@H]2C)CC1 ZINC001596133155 1072453649 /nfs/dbraw/zinc/45/36/49/1072453649.db2.gz BMHIOFCSYIGYPT-FXAWDEMLSA-N 1 0 434.585 0.897 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@@H]2C)CC1 ZINC001596133156 1072453694 /nfs/dbraw/zinc/45/36/94/1072453694.db2.gz BMHIOFCSYIGYPT-PXNSSMCTSA-N 1 0 434.585 0.897 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@H]2C)CC1 ZINC001596133157 1072453820 /nfs/dbraw/zinc/45/38/20/1072453820.db2.gz BMHIOFCSYIGYPT-XLIONFOSSA-N 1 0 434.585 0.897 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@H]2C)CC1 ZINC001596133158 1072454348 /nfs/dbraw/zinc/45/43/48/1072454348.db2.gz BMHIOFCSYIGYPT-YLJYHZDGSA-N 1 0 434.585 0.897 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@H]3NC(=O)CC3(C)C)C[C@H]2C)CC1 ZINC001596133319 1072454306 /nfs/dbraw/zinc/45/43/06/1072454306.db2.gz CVEVDRLWNIQYPV-ATZDWAIDSA-N 1 0 431.585 0.880 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@@H]3NC(=O)CC3(C)C)C[C@@H]2C)CC1 ZINC001596133320 1072454531 /nfs/dbraw/zinc/45/45/31/1072454531.db2.gz CVEVDRLWNIQYPV-IPELMVKDSA-N 1 0 431.585 0.880 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@H]3NC(=O)CC3(C)C)C[C@@H]2C)CC1 ZINC001596133321 1072454331 /nfs/dbraw/zinc/45/43/31/1072454331.db2.gz CVEVDRLWNIQYPV-KFKAGJAMSA-N 1 0 431.585 0.880 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@@H]3NC(=O)CC3(C)C)C[C@H]2C)CC1 ZINC001596133322 1072454470 /nfs/dbraw/zinc/45/44/70/1072454470.db2.gz CVEVDRLWNIQYPV-LZQZEXGQSA-N 1 0 431.585 0.880 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596136320 1072454626 /nfs/dbraw/zinc/45/46/26/1072454626.db2.gz SCCRWWKVMQULGU-HKUYNNGSSA-N 1 0 433.601 0.944 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596136321 1072454381 /nfs/dbraw/zinc/45/43/81/1072454381.db2.gz SCCRWWKVMQULGU-IEBWSBKVSA-N 1 0 433.601 0.944 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596136322 1072454276 /nfs/dbraw/zinc/45/42/76/1072454276.db2.gz SCCRWWKVMQULGU-MJGOQNOKSA-N 1 0 433.601 0.944 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596136323 1072454580 /nfs/dbraw/zinc/45/45/80/1072454580.db2.gz SCCRWWKVMQULGU-PKOBYXMFSA-N 1 0 433.601 0.944 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@H]2C)CC1 ZINC001596136861 1072454552 /nfs/dbraw/zinc/45/45/52/1072454552.db2.gz UZKBORXXFKHVAC-APWZRJJASA-N 1 0 433.557 0.808 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@@H]2C)CC1 ZINC001596136862 1072454606 /nfs/dbraw/zinc/45/46/06/1072454606.db2.gz UZKBORXXFKHVAC-LPHOPBHVSA-N 1 0 433.557 0.808 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@@H]2C)CC1 ZINC001596136863 1072454412 /nfs/dbraw/zinc/45/44/12/1072454412.db2.gz UZKBORXXFKHVAC-QFBILLFUSA-N 1 0 433.557 0.808 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@H]2C)CC1 ZINC001596136864 1072454453 /nfs/dbraw/zinc/45/44/53/1072454453.db2.gz UZKBORXXFKHVAC-VQIMIIECSA-N 1 0 433.557 0.808 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@H]2C)CC1 ZINC001596143769 1072455122 /nfs/dbraw/zinc/45/51/22/1072455122.db2.gz LPKYMXCUWIEYRO-AEFFLSMTSA-N 1 0 444.588 0.427 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@@H]2C)CC1 ZINC001596143770 1072455722 /nfs/dbraw/zinc/45/57/22/1072455722.db2.gz LPKYMXCUWIEYRO-FUHWJXTLSA-N 1 0 444.588 0.427 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@H]2C)CC1 ZINC001596143771 1072455788 /nfs/dbraw/zinc/45/57/88/1072455788.db2.gz LPKYMXCUWIEYRO-SJLPKXTDSA-N 1 0 444.588 0.427 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@@H]2C)CC1 ZINC001596143772 1072455814 /nfs/dbraw/zinc/45/58/14/1072455814.db2.gz LPKYMXCUWIEYRO-WMZOPIPTSA-N 1 0 444.588 0.427 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596144871 1072455693 /nfs/dbraw/zinc/45/56/93/1072455693.db2.gz VESPVPCIWYFZNS-APWZRJJASA-N 1 0 431.585 0.698 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596144872 1072455747 /nfs/dbraw/zinc/45/57/47/1072455747.db2.gz VESPVPCIWYFZNS-LPHOPBHVSA-N 1 0 431.585 0.698 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596144873 1072456304 /nfs/dbraw/zinc/45/63/04/1072456304.db2.gz VESPVPCIWYFZNS-QFBILLFUSA-N 1 0 431.585 0.698 20 0 ICADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596144874 1072456325 /nfs/dbraw/zinc/45/63/25/1072456325.db2.gz VESPVPCIWYFZNS-VQIMIIECSA-N 1 0 431.585 0.698 20 0 ICADRO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001596144968 1072456423 /nfs/dbraw/zinc/45/64/23/1072456423.db2.gz XWQBDYMGNYXHMF-GOSISDBHSA-N 1 0 435.573 0.322 20 0 ICADRO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001596144969 1072456341 /nfs/dbraw/zinc/45/63/41/1072456341.db2.gz XWQBDYMGNYXHMF-SFHVURJKSA-N 1 0 435.573 0.322 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001596148979 1072456384 /nfs/dbraw/zinc/45/63/84/1072456384.db2.gz AQFKRKSAZSZCEF-AWEZNQCLSA-N 1 0 427.575 0.041 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001596148980 1072456416 /nfs/dbraw/zinc/45/64/16/1072456416.db2.gz AQFKRKSAZSZCEF-CQSZACIVSA-N 1 0 427.575 0.041 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001596150901 1072456881 /nfs/dbraw/zinc/45/68/81/1072456881.db2.gz TZTNNEQETHYVJJ-CVEARBPZSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001596150902 1072456835 /nfs/dbraw/zinc/45/68/35/1072456835.db2.gz TZTNNEQETHYVJJ-HOTGVXAUSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001596150904 1072456906 /nfs/dbraw/zinc/45/69/06/1072456906.db2.gz TZTNNEQETHYVJJ-HZPDHXFCSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001596150906 1072456876 /nfs/dbraw/zinc/45/68/76/1072456876.db2.gz TZTNNEQETHYVJJ-JKSUJKDBSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)[C@H](C)C1 ZINC001596157973 1072457418 /nfs/dbraw/zinc/45/74/18/1072457418.db2.gz OECXOUICDOIRIK-CVEARBPZSA-N 1 0 439.586 0.207 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)[C@@H](C)C1 ZINC001596157974 1072457484 /nfs/dbraw/zinc/45/74/84/1072457484.db2.gz OECXOUICDOIRIK-HOTGVXAUSA-N 1 0 439.586 0.207 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)[C@H](C)C1 ZINC001596157975 1072457601 /nfs/dbraw/zinc/45/76/01/1072457601.db2.gz OECXOUICDOIRIK-HZPDHXFCSA-N 1 0 439.586 0.207 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)[C@@H](C)C1 ZINC001596157976 1072457521 /nfs/dbraw/zinc/45/75/21/1072457521.db2.gz OECXOUICDOIRIK-JKSUJKDBSA-N 1 0 439.586 0.207 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001596157987 1072457393 /nfs/dbraw/zinc/45/73/93/1072457393.db2.gz OHQFOTPZZLAONB-CVEARBPZSA-N 1 0 443.618 0.676 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001596157988 1072457613 /nfs/dbraw/zinc/45/76/13/1072457613.db2.gz OHQFOTPZZLAONB-HOTGVXAUSA-N 1 0 443.618 0.676 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001596157989 1072457480 /nfs/dbraw/zinc/45/74/80/1072457480.db2.gz OHQFOTPZZLAONB-HZPDHXFCSA-N 1 0 443.618 0.676 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001596157990 1072457503 /nfs/dbraw/zinc/45/75/03/1072457503.db2.gz OHQFOTPZZLAONB-JKSUJKDBSA-N 1 0 443.618 0.676 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001596158440 1072457940 /nfs/dbraw/zinc/45/79/40/1072457940.db2.gz SCYHFDZEOUJLSF-CVEARBPZSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001596158441 1072457808 /nfs/dbraw/zinc/45/78/08/1072457808.db2.gz SCYHFDZEOUJLSF-HOTGVXAUSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001596158442 1072457849 /nfs/dbraw/zinc/45/78/49/1072457849.db2.gz SCYHFDZEOUJLSF-HZPDHXFCSA-N 1 0 441.602 0.289 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001596158443 1072457987 /nfs/dbraw/zinc/45/79/87/1072457987.db2.gz SCYHFDZEOUJLSF-JKSUJKDBSA-N 1 0 441.602 0.289 20 0 ICADRO O=C(NCCCC[NH+]1CCOCC1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001596159932 1072458002 /nfs/dbraw/zinc/45/80/02/1072458002.db2.gz OIOSVEAKJPMEPH-UHFFFAOYSA-N 1 0 431.580 0.736 20 0 ICADRO Cc1nc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001596169538 1072459178 /nfs/dbraw/zinc/45/91/78/1072459178.db2.gz MDNKIHSYQZDQHC-AAEUAGOBSA-N 1 0 441.462 0.811 20 0 ICADRO Cc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001596169542 1072459117 /nfs/dbraw/zinc/45/91/17/1072459117.db2.gz MDNKIHSYQZDQHC-DGCLKSJQSA-N 1 0 441.462 0.811 20 0 ICADRO 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447.555 0.213 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001596196369 1072461036 /nfs/dbraw/zinc/46/10/36/1072461036.db2.gz FHOSSCKIIXMEHW-KRWDZBQOSA-N 1 0 428.541 0.905 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001596196385 1072461117 /nfs/dbraw/zinc/46/11/17/1072461117.db2.gz FHOSSCKIIXMEHW-QGZVFWFLSA-N 1 0 428.541 0.905 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001596197610 1072461678 /nfs/dbraw/zinc/46/16/78/1072461678.db2.gz MHYXLLFAHKBURZ-CALCHBBNSA-N 1 0 430.557 0.846 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001596197613 1072461622 /nfs/dbraw/zinc/46/16/22/1072461622.db2.gz MHYXLLFAHKBURZ-IAGOWNOFSA-N 1 0 430.557 0.846 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001596197616 1072461827 /nfs/dbraw/zinc/46/18/27/1072461827.db2.gz MHYXLLFAHKBURZ-IRXDYDNUSA-N 1 0 430.557 0.846 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001596198132 1072461607 /nfs/dbraw/zinc/46/16/07/1072461607.db2.gz QNJNWKCEIABLOT-IBGZPJMESA-N 1 0 430.557 0.584 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001596198136 1072461661 /nfs/dbraw/zinc/46/16/61/1072461661.db2.gz QNJNWKCEIABLOT-LJQANCHMSA-N 1 0 430.557 0.584 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001596199340 1072461726 /nfs/dbraw/zinc/46/17/26/1072461726.db2.gz YYSHFMZUKCWZEX-DLBZAZTESA-N 1 0 428.541 0.760 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001596199342 1072461703 /nfs/dbraw/zinc/46/17/03/1072461703.db2.gz YYSHFMZUKCWZEX-IAGOWNOFSA-N 1 0 428.541 0.760 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001596199344 1072461816 /nfs/dbraw/zinc/46/18/16/1072461816.db2.gz YYSHFMZUKCWZEX-IRXDYDNUSA-N 1 0 428.541 0.760 20 0 ICADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001596199346 1072461576 /nfs/dbraw/zinc/46/15/76/1072461576.db2.gz YYSHFMZUKCWZEX-SJORKVTESA-N 1 0 428.541 0.760 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC001596204679 1072462311 /nfs/dbraw/zinc/46/23/11/1072462311.db2.gz GKWMOFBLQTWQLB-CRAIPNDOSA-N 1 0 433.557 0.133 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC001596204680 1072462351 /nfs/dbraw/zinc/46/23/51/1072462351.db2.gz GKWMOFBLQTWQLB-MAUKXSAKSA-N 1 0 433.557 0.133 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC001596204683 1072462251 /nfs/dbraw/zinc/46/22/51/1072462251.db2.gz GKWMOFBLQTWQLB-QAPCUYQASA-N 1 0 433.557 0.133 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC001596204685 1072462182 /nfs/dbraw/zinc/46/21/82/1072462182.db2.gz GKWMOFBLQTWQLB-YJBOKZPZSA-N 1 0 433.557 0.133 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001596205172 1072462341 /nfs/dbraw/zinc/46/23/41/1072462341.db2.gz KEBXXFPBCRLDOB-KRWDZBQOSA-N 1 0 433.557 0.133 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001596205173 1072462171 /nfs/dbraw/zinc/46/21/71/1072462171.db2.gz KEBXXFPBCRLDOB-QGZVFWFLSA-N 1 0 433.557 0.133 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001596212310 1072463026 /nfs/dbraw/zinc/46/30/26/1072463026.db2.gz FVXNLGSFQPGTRT-AEFFLSMTSA-N 1 0 438.598 0.581 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001596212313 1072462965 /nfs/dbraw/zinc/46/29/65/1072462965.db2.gz FVXNLGSFQPGTRT-FUHWJXTLSA-N 1 0 438.598 0.581 20 0 ICADRO CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001596212314 1072462993 /nfs/dbraw/zinc/46/29/93/1072462993.db2.gz FVXNLGSFQPGTRT-SJLPKXTDSA-N 1 0 438.598 0.581 20 0 ICADRO 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ICADRO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001596229260 1072465236 /nfs/dbraw/zinc/46/52/36/1072465236.db2.gz YXYHANWKLFKURV-UHFFFAOYSA-N 1 0 427.553 0.779 20 0 ICADRO CC(=O)N1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC[NH+](C)C)CC1 ZINC001596235836 1072465667 /nfs/dbraw/zinc/46/56/67/1072465667.db2.gz MKMFZFSQSLDHMM-UHFFFAOYSA-N 1 0 440.552 0.763 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001596238386 1072465601 /nfs/dbraw/zinc/46/56/01/1072465601.db2.gz AGZURCCMJSYXKA-FOIQADDNSA-N 1 0 425.551 0.816 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC001596238387 1072465729 /nfs/dbraw/zinc/46/57/29/1072465729.db2.gz AGZURCCMJSYXKA-MGPUTAFESA-N 1 0 425.551 0.816 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001596238388 1072465678 /nfs/dbraw/zinc/46/56/78/1072465678.db2.gz AGZURCCMJSYXKA-QRWLVFNGSA-N 1 0 425.551 0.816 20 0 ICADRO 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CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001596267992 1072468977 /nfs/dbraw/zinc/46/89/77/1072468977.db2.gz PZXGWMPPYPTMSM-GHTZIAJQSA-N 1 0 433.601 0.688 20 0 ICADRO CC(=O)N1CCN([C@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001596267993 1072469029 /nfs/dbraw/zinc/46/90/29/1072469029.db2.gz PZXGWMPPYPTMSM-NQIIRXRSSA-N 1 0 433.601 0.688 20 0 ICADRO CC(=O)N1CCN([C@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001596267994 1072469130 /nfs/dbraw/zinc/46/91/30/1072469130.db2.gz PZXGWMPPYPTMSM-RXVVDRJESA-N 1 0 433.601 0.688 20 0 ICADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCC[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001596267995 1072468910 /nfs/dbraw/zinc/46/89/10/1072468910.db2.gz PZXGWMPPYPTMSM-WIYYLYMNSA-N 1 0 433.601 0.688 20 0 ICADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001596268282 1072469925 /nfs/dbraw/zinc/46/99/25/1072469925.db2.gz VJCNOTAFTYKFLG-AZUAARDMSA-N 1 0 435.617 0.969 20 0 ICADRO 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CC(=O)N1CCN([C@@H]2CN(c3nnc(CC4CC4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001596275409 1072471214 /nfs/dbraw/zinc/47/12/14/1072471214.db2.gz KVLZVLVMIUQZQU-WIYYLYMNSA-N 1 0 447.628 0.798 20 0 ICADRO CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001596277994 1072471053 /nfs/dbraw/zinc/47/10/53/1072471053.db2.gz UDJXDUMBWLCBQK-BGYRXZFFSA-N 1 0 446.644 0.745 20 0 ICADRO CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001596278000 1072471194 /nfs/dbraw/zinc/47/11/94/1072471194.db2.gz UDJXDUMBWLCBQK-PMACEKPBSA-N 1 0 446.644 0.745 20 0 ICADRO CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001596278003 1072471249 /nfs/dbraw/zinc/47/12/49/1072471249.db2.gz UDJXDUMBWLCBQK-WOJBJXKFSA-N 1 0 446.644 0.745 20 0 ICADRO CC(=O)N1CCN(CCn2c(-c3cnccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001596282319 1072472182 /nfs/dbraw/zinc/47/21/82/1072472182.db2.gz JDUCGLJSOGKVGE-UHFFFAOYSA-N 1 0 441.584 0.820 20 0 ICADRO CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001596288156 1072473629 /nfs/dbraw/zinc/47/36/29/1072473629.db2.gz BXWWZIVDOHHJII-IBGZPJMESA-N 1 0 446.600 0.171 20 0 ICADRO CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001596288157 1072473717 /nfs/dbraw/zinc/47/37/17/1072473717.db2.gz BXWWZIVDOHHJII-LJQANCHMSA-N 1 0 446.600 0.171 20 0 ICADRO CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001596290214 1072475667 /nfs/dbraw/zinc/47/56/67/1072475667.db2.gz YSHJKIDRUGAVBC-UHFFFAOYSA-N 1 0 447.628 0.942 20 0 ICADRO O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC001596291231 1072475612 /nfs/dbraw/zinc/47/56/12/1072475612.db2.gz SMOCRSXKDALSDU-IBGZPJMESA-N 1 0 437.562 0.871 20 0 ICADRO O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC001596291232 1072475654 /nfs/dbraw/zinc/47/56/54/1072475654.db2.gz SMOCRSXKDALSDU-LJQANCHMSA-N 1 0 437.562 0.871 20 0 ICADRO 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CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C1 ZINC001596411772 1072485236 /nfs/dbraw/zinc/48/52/36/1072485236.db2.gz KZXACZUGCSCISY-ZBFHGGJFSA-N 1 0 429.591 0.333 20 0 ICADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001596432703 1072486204 /nfs/dbraw/zinc/48/62/04/1072486204.db2.gz FKSGIUWTFHWVLZ-AWEZNQCLSA-N 1 0 431.580 0.557 20 0 ICADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001596432705 1072486275 /nfs/dbraw/zinc/48/62/75/1072486275.db2.gz FKSGIUWTFHWVLZ-CQSZACIVSA-N 1 0 431.580 0.557 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001596433050 1072486257 /nfs/dbraw/zinc/48/62/57/1072486257.db2.gz WJRVOGIPURRXCG-CRAIPNDOSA-N 1 0 438.540 0.976 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001596433051 1072486315 /nfs/dbraw/zinc/48/63/15/1072486315.db2.gz WJRVOGIPURRXCG-MAUKXSAKSA-N 1 0 438.540 0.976 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001596433052 1072486278 /nfs/dbraw/zinc/48/62/78/1072486278.db2.gz WJRVOGIPURRXCG-QAPCUYQASA-N 1 0 438.540 0.976 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001596433053 1072486221 /nfs/dbraw/zinc/48/62/21/1072486221.db2.gz WJRVOGIPURRXCG-YJBOKZPZSA-N 1 0 438.540 0.976 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCOCC[NH+](C)C)C1 ZINC001596441450 1072487209 /nfs/dbraw/zinc/48/72/09/1072487209.db2.gz WVVPGWABAOPCMG-INIZCTEOSA-N 1 0 447.540 0.689 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCOCC[NH+](C)C)C1 ZINC001596441451 1072487276 /nfs/dbraw/zinc/48/72/76/1072487276.db2.gz WVVPGWABAOPCMG-MRXNPFEDSA-N 1 0 447.540 0.689 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001596441716 1072487218 /nfs/dbraw/zinc/48/72/18/1072487218.db2.gz ZYWPJWXZAHUWEX-IBGZPJMESA-N 1 0 443.600 0.810 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001596441718 1072487238 /nfs/dbraw/zinc/48/72/38/1072487238.db2.gz ZYWPJWXZAHUWEX-LJQANCHMSA-N 1 0 443.600 0.810 20 0 ICADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001596454044 1072489078 /nfs/dbraw/zinc/48/90/78/1072489078.db2.gz NFAIXWSVPTZBSH-UHFFFAOYSA-N 1 0 434.562 0.898 20 0 ICADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001596461104 1072490864 /nfs/dbraw/zinc/49/08/64/1072490864.db2.gz KVUPATHPFOCZKR-UHFFFAOYSA-N 1 0 428.942 0.804 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001596463934 1072491549 /nfs/dbraw/zinc/49/15/49/1072491549.db2.gz DEQIVVCJPBXGBH-MOPGFXCFSA-N 1 0 447.584 0.352 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001596463937 1072491567 /nfs/dbraw/zinc/49/15/67/1072491567.db2.gz DEQIVVCJPBXGBH-OALUTQOASA-N 1 0 447.584 0.352 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001596463939 1072491555 /nfs/dbraw/zinc/49/15/55/1072491555.db2.gz DEQIVVCJPBXGBH-RBUKOAKNSA-N 1 0 447.584 0.352 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001596463942 1072491603 /nfs/dbraw/zinc/49/16/03/1072491603.db2.gz DEQIVVCJPBXGBH-RTBURBONSA-N 1 0 447.584 0.352 20 0 ICADRO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)C1 ZINC001596464562 1072491612 /nfs/dbraw/zinc/49/16/12/1072491612.db2.gz GRXPBBHCUBCWOI-GOSISDBHSA-N 1 0 433.557 0.228 20 0 ICADRO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)C1 ZINC001596464565 1072491640 /nfs/dbraw/zinc/49/16/40/1072491640.db2.gz GRXPBBHCUBCWOI-SFHVURJKSA-N 1 0 433.557 0.228 20 0 ICADRO CN1C(=O)C(=O)N(CC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)C1=O ZINC001596466919 1072492169 /nfs/dbraw/zinc/49/21/69/1072492169.db2.gz YPQPJUYUXKISSH-UHFFFAOYSA-N 1 0 447.923 0.874 20 0 ICADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)CC1 ZINC001596471992 1072492085 /nfs/dbraw/zinc/49/20/85/1072492085.db2.gz MMISXZYJBCPDME-UHFFFAOYSA-N 1 0 444.540 0.609 20 0 ICADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596472658 1072492948 /nfs/dbraw/zinc/49/29/48/1072492948.db2.gz XPUPKGABZPKRHQ-NRFANRHFSA-N 1 0 442.524 0.097 20 0 ICADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596472659 1072492883 /nfs/dbraw/zinc/49/28/83/1072492883.db2.gz XPUPKGABZPKRHQ-OAQYLSRUSA-N 1 0 442.524 0.097 20 0 ICADRO CC[NH+](CC)CCN(C(=O)Cc1nnc(C2CCOCC2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001596480276 1072493377 /nfs/dbraw/zinc/49/33/77/1072493377.db2.gz BXZWAMNPPNCOOC-INIZCTEOSA-N 1 0 427.571 0.599 20 0 ICADRO CC[NH+](CC)CCN(C(=O)Cc1nnc(C2CCOCC2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001596480277 1072493469 /nfs/dbraw/zinc/49/34/69/1072493469.db2.gz BXZWAMNPPNCOOC-MRXNPFEDSA-N 1 0 427.571 0.599 20 0 ICADRO CC[NH+](CC)CCN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC001596480303 1072493600 /nfs/dbraw/zinc/49/36/00/1072493600.db2.gz DHGFPJQYFBVWSL-LLVKDONJSA-N 1 0 441.959 0.552 20 0 ICADRO CC[NH+](CC)CCN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC001596480304 1072493594 /nfs/dbraw/zinc/49/35/94/1072493594.db2.gz DHGFPJQYFBVWSL-NSHDSACASA-N 1 0 441.959 0.552 20 0 ICADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001596502150 1072494852 /nfs/dbraw/zinc/49/48/52/1072494852.db2.gz KUVSOZNHGZDJET-IBGZPJMESA-N 1 0 441.536 0.714 20 0 ICADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001596502152 1072494793 /nfs/dbraw/zinc/49/47/93/1072494793.db2.gz KUVSOZNHGZDJET-LJQANCHMSA-N 1 0 441.536 0.714 20 0 ICADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1(n2cnnn2)CCOCC1 ZINC001596502966 1072494826 /nfs/dbraw/zinc/49/48/26/1072494826.db2.gz XPGHBYGGFXIEKN-UHFFFAOYSA-N 1 0 427.553 0.893 20 0 ICADRO CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2CCOCC2)CC1 ZINC001596507152 1072494650 /nfs/dbraw/zinc/49/46/50/1072494650.db2.gz JYTAOZKYROOLSQ-UHFFFAOYSA-N 1 0 447.584 0.618 20 0 ICADRO NC(=O)[C@H]1CC(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NN1c1ccc(F)cc1 ZINC001596543370 1072497815 /nfs/dbraw/zinc/49/78/15/1072497815.db2.gz LMFZDPLZWUYMGM-GOSISDBHSA-N 1 0 444.511 0.578 20 0 ICADRO NC(=O)[C@@H]1CC(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NN1c1ccc(F)cc1 ZINC001596543371 1072497981 /nfs/dbraw/zinc/49/79/81/1072497981.db2.gz LMFZDPLZWUYMGM-SFHVURJKSA-N 1 0 444.511 0.578 20 0 ICADRO Cn1nc(I)cc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001596545256 1072497859 /nfs/dbraw/zinc/49/78/59/1072497859.db2.gz ZPEVGLRGEKWULD-UHFFFAOYSA-N 1 0 445.305 0.971 20 0 ICADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001596545591 1072497781 /nfs/dbraw/zinc/49/77/81/1072497781.db2.gz NUNRMHRVJMEPPZ-GOSISDBHSA-N 1 0 427.509 0.719 20 0 ICADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001596545592 1072497934 /nfs/dbraw/zinc/49/79/34/1072497934.db2.gz NUNRMHRVJMEPPZ-SFHVURJKSA-N 1 0 427.509 0.719 20 0 ICADRO CN1CCn2nc(C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)cc2S1(=O)=O ZINC001596545806 1072498011 /nfs/dbraw/zinc/49/80/11/1072498011.db2.gz WLNPHCYDTWYYIA-UHFFFAOYSA-N 1 0 446.577 0.849 20 0 ICADRO COC(=O)[C@H]1CCCN(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1=O ZINC001596547214 1072497892 /nfs/dbraw/zinc/49/78/92/1072497892.db2.gz RUKLZBIUCXIPON-FHWLQOOXSA-N 1 0 442.516 0.113 20 0 ICADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001596550608 1072498647 /nfs/dbraw/zinc/49/86/47/1072498647.db2.gz SLVPZSWXDJMOOA-MOPGFXCFSA-N 1 0 442.568 0.934 20 0 ICADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001596550610 1072498486 /nfs/dbraw/zinc/49/84/86/1072498486.db2.gz SLVPZSWXDJMOOA-OALUTQOASA-N 1 0 442.568 0.934 20 0 ICADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001596550612 1072498677 /nfs/dbraw/zinc/49/86/77/1072498677.db2.gz SLVPZSWXDJMOOA-RBUKOAKNSA-N 1 0 442.568 0.934 20 0 ICADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001596550615 1072498665 /nfs/dbraw/zinc/49/86/65/1072498665.db2.gz SLVPZSWXDJMOOA-RTBURBONSA-N 1 0 442.568 0.934 20 0 ICADRO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001596555156 1072498933 /nfs/dbraw/zinc/49/89/33/1072498933.db2.gz PSFYZHRIZSMFHL-GOSISDBHSA-N 1 0 426.395 0.764 20 0 ICADRO O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001596555160 1072498987 /nfs/dbraw/zinc/49/89/87/1072498987.db2.gz PSFYZHRIZSMFHL-SFHVURJKSA-N 1 0 426.395 0.764 20 0 ICADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001596567813 1072500470 /nfs/dbraw/zinc/50/04/70/1072500470.db2.gz HQXVWLPYWIOESB-DENIHFKCSA-N 1 0 427.553 0.683 20 0 ICADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001596567814 1072500404 /nfs/dbraw/zinc/50/04/04/1072500404.db2.gz HQXVWLPYWIOESB-KNQAVFIVSA-N 1 0 427.553 0.683 20 0 ICADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001596567815 1072500270 /nfs/dbraw/zinc/50/02/70/1072500270.db2.gz HQXVWLPYWIOESB-SIKLNZKXSA-N 1 0 427.553 0.683 20 0 ICADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001596567816 1072500209 /nfs/dbraw/zinc/50/02/09/1072500209.db2.gz HQXVWLPYWIOESB-UGKGYDQZSA-N 1 0 427.553 0.683 20 0 ICADRO CC(=O)NCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC[NH+](C)C)CC1 ZINC001596578299 1072500762 /nfs/dbraw/zinc/50/07/62/1072500762.db2.gz XZYZUMYBTQGCFI-UHFFFAOYSA-N 1 0 435.573 0.445 20 0 ICADRO Cc1c(C(=O)N2CCC(O)(COCCO)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001596586106 1072501965 /nfs/dbraw/zinc/50/19/65/1072501965.db2.gz SIDOPHYHPXJGCI-UHFFFAOYSA-N 1 0 429.521 0.540 20 0 ICADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001596602552 1072502333 /nfs/dbraw/zinc/50/23/33/1072502333.db2.gz XVSQNXODKWPYDC-CYBMUJFWSA-N 1 0 431.474 0.374 20 0 ICADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001596602554 1072502527 /nfs/dbraw/zinc/50/25/27/1072502527.db2.gz XVSQNXODKWPYDC-ZDUSSCGKSA-N 1 0 431.474 0.374 20 0 ICADRO CCC[C@@H]1CN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001596604567 1072502441 /nfs/dbraw/zinc/50/24/41/1072502441.db2.gz IDXWILISJBMOBT-AEFFLSMTSA-N 1 0 447.985 0.939 20 0 ICADRO CCC[C@H]1CN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001596604568 1072502550 /nfs/dbraw/zinc/50/25/50/1072502550.db2.gz IDXWILISJBMOBT-FUHWJXTLSA-N 1 0 447.985 0.939 20 0 ICADRO CCC[C@@H]1CN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001596604569 1072502293 /nfs/dbraw/zinc/50/22/93/1072502293.db2.gz IDXWILISJBMOBT-SJLPKXTDSA-N 1 0 447.985 0.939 20 0 ICADRO CCC[C@H]1CN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1CCOC ZINC001596604570 1072502970 /nfs/dbraw/zinc/50/29/70/1072502970.db2.gz IDXWILISJBMOBT-WMZOPIPTSA-N 1 0 447.985 0.939 20 0 ICADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001596604791 1072502883 /nfs/dbraw/zinc/50/28/83/1072502883.db2.gz HPJBEYJJANUDBE-IBGZPJMESA-N 1 0 447.584 0.694 20 0 ICADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001596604792 1072502935 /nfs/dbraw/zinc/50/29/35/1072502935.db2.gz HPJBEYJJANUDBE-LJQANCHMSA-N 1 0 447.584 0.694 20 0 ICADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001596612402 1072503412 /nfs/dbraw/zinc/50/34/12/1072503412.db2.gz KXDLAQHTUCBXEX-VAMGGRTRSA-N 1 0 435.569 0.507 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001596625680 1072504351 /nfs/dbraw/zinc/50/43/51/1072504351.db2.gz NJUGYPNDICWRMD-HKUYNNGSSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001596625681 1072504425 /nfs/dbraw/zinc/50/44/25/1072504425.db2.gz NJUGYPNDICWRMD-IEBWSBKVSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001596625682 1072504490 /nfs/dbraw/zinc/50/44/90/1072504490.db2.gz NJUGYPNDICWRMD-MJGOQNOKSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001596625683 1072504393 /nfs/dbraw/zinc/50/43/93/1072504393.db2.gz NJUGYPNDICWRMD-PKOBYXMFSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001596625795 1072504415 /nfs/dbraw/zinc/50/44/15/1072504415.db2.gz OFWAAUFNIGKYAS-IBGZPJMESA-N 1 0 447.584 0.731 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001596625797 1072504409 /nfs/dbraw/zinc/50/44/09/1072504409.db2.gz OFWAAUFNIGKYAS-LJQANCHMSA-N 1 0 447.584 0.731 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001596626088 1072504924 /nfs/dbraw/zinc/50/49/24/1072504924.db2.gz SAKZSGIABGVOSP-MSOLQXFVSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001596626089 1072504827 /nfs/dbraw/zinc/50/48/27/1072504827.db2.gz SAKZSGIABGVOSP-QZTJIDSGSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001596626090 1072504801 /nfs/dbraw/zinc/50/48/01/1072504801.db2.gz SAKZSGIABGVOSP-ROUUACIJSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001596626091 1072504965 /nfs/dbraw/zinc/50/49/65/1072504965.db2.gz SAKZSGIABGVOSP-ZWKOTPCHSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001596626321 1072504863 /nfs/dbraw/zinc/50/48/63/1072504863.db2.gz YBFYSADBNOQNNQ-MOPGFXCFSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001596626322 1072504769 /nfs/dbraw/zinc/50/47/69/1072504769.db2.gz YBFYSADBNOQNNQ-OALUTQOASA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001596626323 1072505429 /nfs/dbraw/zinc/50/54/29/1072505429.db2.gz YBFYSADBNOQNNQ-RBUKOAKNSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001596626324 1072505399 /nfs/dbraw/zinc/50/53/99/1072505399.db2.gz YBFYSADBNOQNNQ-RTBURBONSA-N 1 0 449.600 0.878 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001596641408 1072507058 /nfs/dbraw/zinc/50/70/58/1072507058.db2.gz GNCOCXYRGZMWPL-MOPGFXCFSA-N 1 0 443.552 0.528 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001596641409 1072507149 /nfs/dbraw/zinc/50/71/49/1072507149.db2.gz GNCOCXYRGZMWPL-OALUTQOASA-N 1 0 443.552 0.528 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001596641410 1072507198 /nfs/dbraw/zinc/50/71/98/1072507198.db2.gz GNCOCXYRGZMWPL-RBUKOAKNSA-N 1 0 443.552 0.528 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001596641411 1072507019 /nfs/dbraw/zinc/50/70/19/1072507019.db2.gz GNCOCXYRGZMWPL-RTBURBONSA-N 1 0 443.552 0.528 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCSCC2)CCO1 ZINC001596648147 1072508246 /nfs/dbraw/zinc/50/82/46/1072508246.db2.gz BOBWKEPIXYHYHI-INIZCTEOSA-N 1 0 432.554 0.125 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCSCC2)CCO1 ZINC001596648148 1072508019 /nfs/dbraw/zinc/50/80/19/1072508019.db2.gz BOBWKEPIXYHYHI-MRXNPFEDSA-N 1 0 432.554 0.125 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001596648875 1072508422 /nfs/dbraw/zinc/50/84/22/1072508422.db2.gz JGQFKUVIVFSKPR-IBGZPJMESA-N 1 0 430.557 0.752 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001596648876 1072508505 /nfs/dbraw/zinc/50/85/05/1072508505.db2.gz JGQFKUVIVFSKPR-LJQANCHMSA-N 1 0 430.557 0.752 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001596649972 1072509448 /nfs/dbraw/zinc/50/94/48/1072509448.db2.gz VALFGQOCPSLIQF-CGTJXYLNSA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001596649973 1072509519 /nfs/dbraw/zinc/50/95/19/1072509519.db2.gz VALFGQOCPSLIQF-JQHSSLGASA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001596649974 1072509507 /nfs/dbraw/zinc/50/95/07/1072509507.db2.gz VALFGQOCPSLIQF-KBAYOESNSA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001596649975 1072509472 /nfs/dbraw/zinc/50/94/72/1072509472.db2.gz VALFGQOCPSLIQF-NXHRZFHOSA-N 1 0 433.557 0.302 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001596650580 1072510043 /nfs/dbraw/zinc/51/00/43/1072510043.db2.gz YOBFLLGULHDQOI-DZGCQCFKSA-N 1 0 433.513 0.297 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001596650581 1072509951 /nfs/dbraw/zinc/50/99/51/1072509951.db2.gz YOBFLLGULHDQOI-HIFRSBDPSA-N 1 0 433.513 0.297 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001596650638 1072509980 /nfs/dbraw/zinc/50/99/80/1072509980.db2.gz YOBFLLGULHDQOI-UKRRQHHQSA-N 1 0 433.513 0.297 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001596650640 1072509882 /nfs/dbraw/zinc/50/98/82/1072509882.db2.gz YOBFLLGULHDQOI-ZFWWWQNUSA-N 1 0 433.513 0.297 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001596665836 1072512504 /nfs/dbraw/zinc/51/25/04/1072512504.db2.gz GPCHJHMBXZHLAV-NRFANRHFSA-N 1 0 447.628 0.846 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001596665837 1072512593 /nfs/dbraw/zinc/51/25/93/1072512593.db2.gz GPCHJHMBXZHLAV-OAQYLSRUSA-N 1 0 447.628 0.846 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001596667460 1072513526 /nfs/dbraw/zinc/51/35/26/1072513526.db2.gz PLPYUUAZKRMTKS-PMACEKPBSA-N 1 0 434.585 0.929 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001596667461 1072513638 /nfs/dbraw/zinc/51/36/38/1072513638.db2.gz PLPYUUAZKRMTKS-UXHICEINSA-N 1 0 434.585 0.929 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001596667462 1072513582 /nfs/dbraw/zinc/51/35/82/1072513582.db2.gz PLPYUUAZKRMTKS-VQTJNVASSA-N 1 0 434.585 0.929 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001596667463 1072513441 /nfs/dbraw/zinc/51/34/41/1072513441.db2.gz PLPYUUAZKRMTKS-WOJBJXKFSA-N 1 0 434.585 0.929 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001596669164 1072513954 /nfs/dbraw/zinc/51/39/54/1072513954.db2.gz WRZMMXGUEXZJPK-IBGZPJMESA-N 1 0 449.600 0.861 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001596669165 1072514001 /nfs/dbraw/zinc/51/40/01/1072514001.db2.gz WRZMMXGUEXZJPK-LJQANCHMSA-N 1 0 449.600 0.861 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001596672626 1072514424 /nfs/dbraw/zinc/51/44/24/1072514424.db2.gz BLNAQZJGHJTRIE-FXAWDEMLSA-N 1 0 444.584 0.965 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001596672632 1072514532 /nfs/dbraw/zinc/51/45/32/1072514532.db2.gz BLNAQZJGHJTRIE-PXNSSMCTSA-N 1 0 444.584 0.965 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001596672634 1072514315 /nfs/dbraw/zinc/51/43/15/1072514315.db2.gz BLNAQZJGHJTRIE-XLIONFOSSA-N 1 0 444.584 0.965 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001596672635 1072514466 /nfs/dbraw/zinc/51/44/66/1072514466.db2.gz BLNAQZJGHJTRIE-YLJYHZDGSA-N 1 0 444.584 0.965 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001596675408 1072515010 /nfs/dbraw/zinc/51/50/10/1072515010.db2.gz QHGCMFSIGBKJPP-PMACEKPBSA-N 1 0 444.584 0.821 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001596675417 1072514815 /nfs/dbraw/zinc/51/48/15/1072514815.db2.gz QHGCMFSIGBKJPP-UXHICEINSA-N 1 0 444.584 0.821 20 0 ICADRO CC(=O)NC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001596675419 1072515392 /nfs/dbraw/zinc/51/53/92/1072515392.db2.gz QHGCMFSIGBKJPP-VQTJNVASSA-N 1 0 444.584 0.821 20 0 ICADRO CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001596675420 1072515288 /nfs/dbraw/zinc/51/52/88/1072515288.db2.gz QHGCMFSIGBKJPP-WOJBJXKFSA-N 1 0 444.584 0.821 20 0 ICADRO CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001596680214 1072515722 /nfs/dbraw/zinc/51/57/22/1072515722.db2.gz DCCMNJZDFIZLKI-UHFFFAOYSA-N 1 0 445.572 0.388 20 0 ICADRO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001596709695 1072517071 /nfs/dbraw/zinc/51/70/71/1072517071.db2.gz MXYYYKGSXRMXQW-SFHVURJKSA-N 1 0 430.557 0.753 20 0 ICADRO CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001596709717 1072517318 /nfs/dbraw/zinc/51/73/18/1072517318.db2.gz NSROSMCLSIZLOU-IBGZPJMESA-N 1 0 442.568 0.553 20 0 ICADRO CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001596709718 1072516977 /nfs/dbraw/zinc/51/69/77/1072516977.db2.gz NSROSMCLSIZLOU-LJQANCHMSA-N 1 0 442.568 0.553 20 0 ICADRO CC(=O)NCCCn1c(C2CC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001596712940 1072517107 /nfs/dbraw/zinc/51/71/07/1072517107.db2.gz CCHGQZXTINJTCR-FQEVSTJZSA-N 1 0 433.601 0.913 20 0 ICADRO CC(=O)NCCCn1c(C2CC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001596712942 1072517277 /nfs/dbraw/zinc/51/72/77/1072517277.db2.gz CCHGQZXTINJTCR-HXUWFJFHSA-N 1 0 433.601 0.913 20 0 ICADRO CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001596713008 1072517202 /nfs/dbraw/zinc/51/72/02/1072517202.db2.gz CTQIWMGEDREIHP-UHFFFAOYSA-N 1 0 441.540 0.006 20 0 ICADRO CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001596715254 1072518277 /nfs/dbraw/zinc/51/82/77/1072518277.db2.gz YILBHBLLTOYZQM-GOSISDBHSA-N 1 0 433.557 0.304 20 0 ICADRO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001596715255 1072518159 /nfs/dbraw/zinc/51/81/59/1072518159.db2.gz YILBHBLLTOYZQM-SFHVURJKSA-N 1 0 433.557 0.304 20 0 ICADRO CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001596723279 1072518990 /nfs/dbraw/zinc/51/89/90/1072518990.db2.gz XHZZFJVGTGIIQO-PMACEKPBSA-N 1 0 433.601 0.913 20 0 ICADRO CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001596723280 1072518962 /nfs/dbraw/zinc/51/89/62/1072518962.db2.gz XHZZFJVGTGIIQO-UXHICEINSA-N 1 0 433.601 0.913 20 0 ICADRO CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001596723281 1072519026 /nfs/dbraw/zinc/51/90/26/1072519026.db2.gz XHZZFJVGTGIIQO-VQTJNVASSA-N 1 0 433.601 0.913 20 0 ICADRO CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001596723282 1072519129 /nfs/dbraw/zinc/51/91/29/1072519129.db2.gz XHZZFJVGTGIIQO-WOJBJXKFSA-N 1 0 433.601 0.913 20 0 ICADRO CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001596736220 1072520004 /nfs/dbraw/zinc/52/00/04/1072520004.db2.gz KAJAPWHVWUNILE-FQEVSTJZSA-N 1 0 427.553 0.949 20 0 ICADRO CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001596736221 1072519943 /nfs/dbraw/zinc/51/99/43/1072519943.db2.gz KAJAPWHVWUNILE-HXUWFJFHSA-N 1 0 427.553 0.949 20 0 ICADRO CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001596737786 1072519984 /nfs/dbraw/zinc/51/99/84/1072519984.db2.gz YMEXFOBUJNVCNG-NRFANRHFSA-N 1 0 447.628 0.988 20 0 ICADRO CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001596737787 1072520028 /nfs/dbraw/zinc/52/00/28/1072520028.db2.gz YMEXFOBUJNVCNG-OAQYLSRUSA-N 1 0 447.628 0.988 20 0 ICADRO CC(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001596745636 1072520471 /nfs/dbraw/zinc/52/04/71/1072520471.db2.gz ZSZNRPLGXRIVQJ-UHFFFAOYSA-N 1 0 444.584 0.967 20 0 ICADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001596746157 1072520505 /nfs/dbraw/zinc/52/05/05/1072520505.db2.gz RAWGWBMWFUHSDL-UHFFFAOYSA-N 1 0 436.538 0.762 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001596779870 1072522472 /nfs/dbraw/zinc/52/24/72/1072522472.db2.gz YRFOWVWSCLALTM-CYBMUJFWSA-N 1 0 434.584 0.988 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001596779871 1072522641 /nfs/dbraw/zinc/52/26/41/1072522641.db2.gz YRFOWVWSCLALTM-ZDUSSCGKSA-N 1 0 434.584 0.988 20 0 ICADRO Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001596882764 1072525548 /nfs/dbraw/zinc/52/55/48/1072525548.db2.gz DZDGRCIUKOHTBR-INIZCTEOSA-N 1 0 433.534 0.185 20 0 ICADRO Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001596882765 1072525649 /nfs/dbraw/zinc/52/56/49/1072525649.db2.gz DZDGRCIUKOHTBR-MRXNPFEDSA-N 1 0 433.534 0.185 20 0 ICADRO CNC(=O)CN1CCCN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC001596937081 1072530480 /nfs/dbraw/zinc/53/04/80/1072530480.db2.gz XIDNCIVZJSTQNC-UHFFFAOYSA-N 1 0 425.537 0.458 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001597017989 1072533060 /nfs/dbraw/zinc/53/30/60/1072533060.db2.gz PLEKRCHGVDQYCI-UHFFFAOYSA-N 1 0 425.574 0.598 20 0 ICADRO CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001597021566 1072533596 /nfs/dbraw/zinc/53/35/96/1072533596.db2.gz ZAESKNQJCXAILJ-RTBURBONSA-N 1 0 440.566 0.923 20 0 ICADRO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001597027401 1072533564 /nfs/dbraw/zinc/53/35/64/1072533564.db2.gz ZJAGRPDKYOODNG-BXTJHSDWSA-N 1 0 427.567 0.869 20 0 ICADRO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001597027403 1072533698 /nfs/dbraw/zinc/53/36/98/1072533698.db2.gz ZJAGRPDKYOODNG-STXHMFSFSA-N 1 0 427.567 0.869 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001597049683 1072534683 /nfs/dbraw/zinc/53/46/83/1072534683.db2.gz CRNNNZPFVCRIHD-AWEZNQCLSA-N 1 0 428.320 0.883 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001597049684 1072534745 /nfs/dbraw/zinc/53/47/45/1072534745.db2.gz CRNNNZPFVCRIHD-CQSZACIVSA-N 1 0 428.320 0.883 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 ZINC001597049733 1072534868 /nfs/dbraw/zinc/53/48/68/1072534868.db2.gz DNVSPAIJXZVSOL-GSHUGGBRSA-N 1 0 436.553 0.777 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 ZINC001597049735 1072534556 /nfs/dbraw/zinc/53/45/56/1072534556.db2.gz DNVSPAIJXZVSOL-PNLZDCPESA-N 1 0 436.553 0.777 20 0 ICADRO Cn1nc(I)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001597049794 1072534617 /nfs/dbraw/zinc/53/46/17/1072534617.db2.gz FBYGPBOKLIVPIY-LLVKDONJSA-N 1 0 431.278 0.403 20 0 ICADRO Cn1nc(I)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001597049795 1072534918 /nfs/dbraw/zinc/53/49/18/1072534918.db2.gz FBYGPBOKLIVPIY-NSHDSACASA-N 1 0 431.278 0.403 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001597049996 1072534520 /nfs/dbraw/zinc/53/45/20/1072534520.db2.gz HFFBRIQRGAMUPU-KRWDZBQOSA-N 1 0 449.556 0.572 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001597049997 1072534952 /nfs/dbraw/zinc/53/49/52/1072534952.db2.gz HFFBRIQRGAMUPU-QGZVFWFLSA-N 1 0 449.556 0.572 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001597050445 1072535024 /nfs/dbraw/zinc/53/50/24/1072535024.db2.gz NYJZIUUOONYEOC-INIZCTEOSA-N 1 0 447.540 0.449 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001597050446 1072534776 /nfs/dbraw/zinc/53/47/76/1072534776.db2.gz NYJZIUUOONYEOC-MRXNPFEDSA-N 1 0 447.540 0.449 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050690 1072535063 /nfs/dbraw/zinc/53/50/63/1072535063.db2.gz QKZDAXZUGUCGIO-MOPGFXCFSA-N 1 0 449.596 0.472 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050691 1072534651 /nfs/dbraw/zinc/53/46/51/1072534651.db2.gz QKZDAXZUGUCGIO-OALUTQOASA-N 1 0 449.596 0.472 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050693 1072534987 /nfs/dbraw/zinc/53/49/87/1072534987.db2.gz QKZDAXZUGUCGIO-RBUKOAKNSA-N 1 0 449.596 0.472 20 0 ICADRO 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429.558 0.536 20 0 ICADRO C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001597313206 1072547790 /nfs/dbraw/zinc/54/77/90/1072547790.db2.gz TYIQUWOFFNFTPV-IAGOWNOFSA-N 1 0 429.558 0.536 20 0 ICADRO C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001597313207 1072547646 /nfs/dbraw/zinc/54/76/46/1072547646.db2.gz TYIQUWOFFNFTPV-IRXDYDNUSA-N 1 0 429.558 0.536 20 0 ICADRO C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001597313208 1072547696 /nfs/dbraw/zinc/54/76/96/1072547696.db2.gz TYIQUWOFFNFTPV-SJORKVTESA-N 1 0 429.558 0.536 20 0 ICADRO CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CCCOC1 ZINC001597313219 1072547557 /nfs/dbraw/zinc/54/75/57/1072547557.db2.gz UNJRZWKRKFFMJL-NRFANRHFSA-N 1 0 441.569 0.994 20 0 ICADRO CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CCCOC1 ZINC001597313220 1072547884 /nfs/dbraw/zinc/54/78/84/1072547884.db2.gz UNJRZWKRKFFMJL-OAQYLSRUSA-N 1 0 441.569 0.994 20 0 ICADRO 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/nfs/dbraw/zinc/55/33/31/1072553331.db2.gz LDHNJMOBUXJVRA-HXUWFJFHSA-N 1 0 449.581 0.595 20 0 ICADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)CC1 ZINC001597399041 1072553422 /nfs/dbraw/zinc/55/34/22/1072553422.db2.gz IPXSAVIOMLBCJP-UHFFFAOYSA-N 1 0 447.584 0.684 20 0 ICADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001597404256 1072553308 /nfs/dbraw/zinc/55/33/08/1072553308.db2.gz BFNVMNQDYSNUSU-INIZCTEOSA-N 1 0 426.525 0.692 20 0 ICADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001597404257 1072553567 /nfs/dbraw/zinc/55/35/67/1072553567.db2.gz BFNVMNQDYSNUSU-MRXNPFEDSA-N 1 0 426.525 0.692 20 0 ICADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001597405219 1072554114 /nfs/dbraw/zinc/55/41/14/1072554114.db2.gz VWPWKFTXXPGZQF-INIZCTEOSA-N 1 0 429.587 0.764 20 0 ICADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001597405221 1072554138 /nfs/dbraw/zinc/55/41/38/1072554138.db2.gz 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438.594 0.804 20 0 ICADRO CN1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC[N@H+](C)CC1 ZINC001597659217 1072568989 /nfs/dbraw/zinc/56/89/89/1072568989.db2.gz XASJBTQJJVBEOR-UHFFFAOYSA-N 1 0 433.578 0.553 20 0 ICADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001597675729 1072570496 /nfs/dbraw/zinc/57/04/96/1072570496.db2.gz OKYHOJUGDWSDJL-CVEARBPZSA-N 1 0 425.526 0.823 20 0 ICADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001597675730 1072570460 /nfs/dbraw/zinc/57/04/60/1072570460.db2.gz OKYHOJUGDWSDJL-HOTGVXAUSA-N 1 0 425.526 0.823 20 0 ICADRO COC(=O)[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001597675731 1072570609 /nfs/dbraw/zinc/57/06/09/1072570609.db2.gz OKYHOJUGDWSDJL-HZPDHXFCSA-N 1 0 425.526 0.823 20 0 ICADRO COC(=O)[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001597675732 1072570545 /nfs/dbraw/zinc/57/05/45/1072570545.db2.gz OKYHOJUGDWSDJL-JKSUJKDBSA-N 1 0 425.526 0.823 20 0 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C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001597768689 1072575844 /nfs/dbraw/zinc/57/58/44/1072575844.db2.gz CAIDBPWVCJMTSB-UHFFFAOYSA-N 1 0 444.642 0.991 20 0 ICADRO COCCCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001597769605 1072575672 /nfs/dbraw/zinc/57/56/72/1072575672.db2.gz KPRTXCKEJPVMSP-CVEARBPZSA-N 1 0 435.587 0.884 20 0 ICADRO COCCCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001597769607 1072575984 /nfs/dbraw/zinc/57/59/84/1072575984.db2.gz KPRTXCKEJPVMSP-HOTGVXAUSA-N 1 0 435.587 0.884 20 0 ICADRO COCCCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001597769609 1072575823 /nfs/dbraw/zinc/57/58/23/1072575823.db2.gz KPRTXCKEJPVMSP-HZPDHXFCSA-N 1 0 435.587 0.884 20 0 ICADRO COCCCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001597769610 1072575889 /nfs/dbraw/zinc/57/58/89/1072575889.db2.gz KPRTXCKEJPVMSP-JKSUJKDBSA-N 1 0 435.587 0.884 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC001597769956 1072575697 /nfs/dbraw/zinc/57/56/97/1072575697.db2.gz PFLIHBBPBLKIMD-UHFFFAOYSA-N 1 0 425.555 0.285 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001597770049 1072575740 /nfs/dbraw/zinc/57/57/40/1072575740.db2.gz RPVIJTBSARXRME-UHFFFAOYSA-N 1 0 440.585 0.911 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CC1 ZINC001597774272 1072576748 /nfs/dbraw/zinc/57/67/48/1072576748.db2.gz HKGUBVVTDUDDPS-MSOLQXFVSA-N 1 0 432.569 0.359 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CC1 ZINC001597774273 1072576447 /nfs/dbraw/zinc/57/64/47/1072576447.db2.gz HKGUBVVTDUDDPS-QZTJIDSGSA-N 1 0 432.569 0.359 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1 ZINC001597774274 1072576526 /nfs/dbraw/zinc/57/65/26/1072576526.db2.gz HKGUBVVTDUDDPS-ROUUACIJSA-N 1 0 432.569 0.359 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CC1 ZINC001597774275 1072576642 /nfs/dbraw/zinc/57/66/42/1072576642.db2.gz HKGUBVVTDUDDPS-ZWKOTPCHSA-N 1 0 432.569 0.359 20 0 ICADRO Cn1ncc2c1nc(CCC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[nH]c2=O ZINC001597774523 1072576500 /nfs/dbraw/zinc/57/65/00/1072576500.db2.gz KLYGFDZCMGVYFC-UHFFFAOYSA-N 1 0 445.568 0.944 20 0 ICADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001597774780 1072576674 /nfs/dbraw/zinc/57/66/74/1072576674.db2.gz OVALFDDXKLPVCY-INIZCTEOSA-N 1 0 428.574 0.815 20 0 ICADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001597782957 1072576543 /nfs/dbraw/zinc/57/65/43/1072576543.db2.gz VSXAPMWFEIAZPK-IEBWSBKVSA-N 1 0 447.561 0.784 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)NCc2ccccc2OCC[NH+](C)C)[C@H]1c1nccn1C ZINC001597819207 1072578869 /nfs/dbraw/zinc/57/88/69/1072578869.db2.gz HGYMKVJIULEGRT-PMACEKPBSA-N 1 0 429.521 0.965 20 0 ICADRO CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001597841573 1072579403 /nfs/dbraw/zinc/57/94/03/1072579403.db2.gz UKFSAIFIVDFBDQ-DLBZAZTESA-N 1 0 441.598 0.500 20 0 ICADRO CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001597841574 1072579335 /nfs/dbraw/zinc/57/93/35/1072579335.db2.gz UKFSAIFIVDFBDQ-IRXDYDNUSA-N 1 0 441.598 0.500 20 0 ICADRO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC001597869406 1072580046 /nfs/dbraw/zinc/58/00/46/1072580046.db2.gz SYUXUAYKSIZKHK-CALCHBBNSA-N 1 0 444.598 0.953 20 0 ICADRO CC(C)C(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001597924286 1072583580 /nfs/dbraw/zinc/58/35/80/1072583580.db2.gz OQONEPOJYMIASK-CVEARBPZSA-N 1 0 443.618 0.533 20 0 ICADRO CC(C)C(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CC1 ZINC001597924287 1072583719 /nfs/dbraw/zinc/58/37/19/1072583719.db2.gz OQONEPOJYMIASK-HOTGVXAUSA-N 1 0 443.618 0.533 20 0 ICADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001597924288 1072583473 /nfs/dbraw/zinc/58/34/73/1072583473.db2.gz OQONEPOJYMIASK-HZPDHXFCSA-N 1 0 443.618 0.533 20 0 ICADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CC1 ZINC001597924289 1072583657 /nfs/dbraw/zinc/58/36/57/1072583657.db2.gz OQONEPOJYMIASK-JKSUJKDBSA-N 1 0 443.618 0.533 20 0 ICADRO CC(C)C(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001597942006 1072584876 /nfs/dbraw/zinc/58/48/76/1072584876.db2.gz VDGJQZYNUAQUEN-INIZCTEOSA-N 1 0 441.602 0.289 20 0 ICADRO CC(C)C(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001597942013 1072584767 /nfs/dbraw/zinc/58/47/67/1072584767.db2.gz VDGJQZYNUAQUEN-MRXNPFEDSA-N 1 0 441.602 0.289 20 0 ICADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001597944703 1072584937 /nfs/dbraw/zinc/58/49/37/1072584937.db2.gz FDWGKNTZAOSKIR-NRFANRHFSA-N 1 0 439.578 0.893 20 0 ICADRO 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COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001597945804 1072585285 /nfs/dbraw/zinc/58/52/85/1072585285.db2.gz XLMMKCALWGRKAF-FQEVSTJZSA-N 1 0 441.550 0.127 20 0 ICADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001597945805 1072585627 /nfs/dbraw/zinc/58/56/27/1072585627.db2.gz XLMMKCALWGRKAF-HXUWFJFHSA-N 1 0 441.550 0.127 20 0 ICADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001597960685 1072587867 /nfs/dbraw/zinc/58/78/67/1072587867.db2.gz LDJRMLVLQMBMKJ-JOCHJYFZSA-N 1 0 427.553 0.635 20 0 ICADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001597960690 1072587691 /nfs/dbraw/zinc/58/76/91/1072587691.db2.gz LDJRMLVLQMBMKJ-QFIPXVFZSA-N 1 0 427.553 0.635 20 0 ICADRO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCOCC[NH+](C)C)CC1 ZINC001597961821 1072587771 /nfs/dbraw/zinc/58/77/71/1072587771.db2.gz YMQUHYYNQNVXOB-UHFFFAOYSA-N 1 0 435.573 0.283 20 0 ICADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C1 ZINC001597976393 1072588454 /nfs/dbraw/zinc/58/84/54/1072588454.db2.gz IATPJCHGYTXKCK-GOSISDBHSA-N 1 0 432.573 0.998 20 0 ICADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C1 ZINC001597976397 1072588579 /nfs/dbraw/zinc/58/85/79/1072588579.db2.gz IATPJCHGYTXKCK-SFHVURJKSA-N 1 0 432.573 0.998 20 0 ICADRO Cn1c(=O)cc(N2CC[C@H](NC(=O)[C@@]3(O)CCC[N@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992231 1072590140 /nfs/dbraw/zinc/59/01/40/1072590140.db2.gz AHFKFFZKZXEMCT-HTAPYJJXSA-N 1 0 427.505 0.208 20 0 ICADRO Cn1c(=O)cc(N2CC[C@H](NC(=O)[C@]3(O)CCC[N@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992232 1072590192 /nfs/dbraw/zinc/59/01/92/1072590192.db2.gz AHFKFFZKZXEMCT-JTSKRJEESA-N 1 0 427.505 0.208 20 0 ICADRO Cn1c(=O)cc(N2CC[C@@H](NC(=O)[C@@]3(O)CCC[N@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992233 1072590351 /nfs/dbraw/zinc/59/03/51/1072590351.db2.gz AHFKFFZKZXEMCT-VGOFRKELSA-N 1 0 427.505 0.208 20 0 ICADRO 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CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)CC1 ZINC001598011769 1072594561 /nfs/dbraw/zinc/59/45/61/1072594561.db2.gz PWHDNWQYWLNPLZ-KRWDZBQOSA-N 1 0 435.573 0.548 20 0 ICADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)CC1 ZINC001598011770 1072594529 /nfs/dbraw/zinc/59/45/29/1072594529.db2.gz PWHDNWQYWLNPLZ-QGZVFWFLSA-N 1 0 435.573 0.548 20 0 ICADRO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001598018930 1072595206 /nfs/dbraw/zinc/59/52/06/1072595206.db2.gz XKFONXIARCWRGE-JOCHJYFZSA-N 1 0 447.584 0.208 20 0 ICADRO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001598018931 1072595357 /nfs/dbraw/zinc/59/53/57/1072595357.db2.gz XKFONXIARCWRGE-QFIPXVFZSA-N 1 0 447.584 0.208 20 0 ICADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001598038887 1072596359 /nfs/dbraw/zinc/59/63/59/1072596359.db2.gz SOOWINULGDOJSN-HTAPYJJXSA-N 1 0 444.584 0.734 20 0 ICADRO 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CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001607904007 1072688465 /nfs/dbraw/zinc/68/84/65/1072688465.db2.gz IUWQQMMTULODFE-CVEARBPZSA-N 1 0 426.587 0.577 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001607904008 1072688488 /nfs/dbraw/zinc/68/84/88/1072688488.db2.gz IUWQQMMTULODFE-HOTGVXAUSA-N 1 0 426.587 0.577 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001607904009 1072688444 /nfs/dbraw/zinc/68/84/44/1072688444.db2.gz IUWQQMMTULODFE-HZPDHXFCSA-N 1 0 426.587 0.577 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001607904010 1072688436 /nfs/dbraw/zinc/68/84/36/1072688436.db2.gz IUWQQMMTULODFE-JKSUJKDBSA-N 1 0 426.587 0.577 20 0 ICADRO CC(C)[N@H+](C)CCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001607911701 1072688451 /nfs/dbraw/zinc/68/84/51/1072688451.db2.gz OCIFQLMMRJJRMX-UHFFFAOYSA-N 1 0 447.628 0.942 20 0 ICADRO CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001607919227 1072688473 /nfs/dbraw/zinc/68/84/73/1072688473.db2.gz INCVEPJMYZRXHE-UHFFFAOYSA-N 1 0 444.540 0.561 20 0 ICADRO CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 ZINC001607919766 1072688650 /nfs/dbraw/zinc/68/86/50/1072688650.db2.gz SYHBXQPDAIGJHJ-UHFFFAOYSA-N 1 0 427.557 0.971 20 0 ICADRO CC(C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001607933232 1072688508 /nfs/dbraw/zinc/68/85/08/1072688508.db2.gz ZKKLRXCMHNMHEN-UHFFFAOYSA-N 1 0 440.552 0.608 20 0 ICADRO CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001607937898 1072688482 /nfs/dbraw/zinc/68/84/82/1072688482.db2.gz AILBRLALYOHGQW-UHFFFAOYSA-N 1 0 429.529 0.539 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001607939651 1072689361 /nfs/dbraw/zinc/68/93/61/1072689361.db2.gz RXKYURYVYGAIOS-AEFFLSMTSA-N 1 0 446.600 0.359 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001607939652 1072689271 /nfs/dbraw/zinc/68/92/71/1072689271.db2.gz RXKYURYVYGAIOS-FUHWJXTLSA-N 1 0 446.600 0.359 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001607939653 1072688991 /nfs/dbraw/zinc/68/89/91/1072688991.db2.gz RXKYURYVYGAIOS-SJLPKXTDSA-N 1 0 446.600 0.359 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001607939654 1072689139 /nfs/dbraw/zinc/68/91/39/1072689139.db2.gz RXKYURYVYGAIOS-WMZOPIPTSA-N 1 0 446.600 0.359 20 0 ICADRO CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001607940045 1072689254 /nfs/dbraw/zinc/68/92/54/1072689254.db2.gz WJXGOINJLAJADV-UHFFFAOYSA-N 1 0 429.573 0.419 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001607940131 1072689317 /nfs/dbraw/zinc/68/93/17/1072689317.db2.gz YNBLMLHXDMEMLU-KRWDZBQOSA-N 1 0 432.573 0.907 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001607940132 1072689241 /nfs/dbraw/zinc/68/92/41/1072689241.db2.gz YNBLMLHXDMEMLU-QGZVFWFLSA-N 1 0 432.573 0.907 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001607944048 1072689332 /nfs/dbraw/zinc/68/93/32/1072689332.db2.gz MXNMCOXUZMCYDK-INIZCTEOSA-N 1 0 428.603 0.982 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001607944049 1072689165 /nfs/dbraw/zinc/68/91/65/1072689165.db2.gz MXNMCOXUZMCYDK-MRXNPFEDSA-N 1 0 428.603 0.982 20 0 ICADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001607950855 1072689285 /nfs/dbraw/zinc/68/92/85/1072689285.db2.gz LWQVRBZAQKYBFK-GOSISDBHSA-N 1 0 443.527 0.495 20 0 ICADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001607950856 1072689226 /nfs/dbraw/zinc/68/92/26/1072689226.db2.gz LWQVRBZAQKYBFK-SFHVURJKSA-N 1 0 443.527 0.495 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001607956813 1072689297 /nfs/dbraw/zinc/68/92/97/1072689297.db2.gz QSRCKPUOMCPRDJ-HNNXBMFYSA-N 1 0 446.581 0.824 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001607956814 1072689369 /nfs/dbraw/zinc/68/93/69/1072689369.db2.gz QSRCKPUOMCPRDJ-OAHLLOKOSA-N 1 0 446.581 0.824 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001607957125 1072689353 /nfs/dbraw/zinc/68/93/53/1072689353.db2.gz VEQQFLWVOZCBCX-UHFFFAOYSA-N 1 0 441.602 0.259 20 0 ICADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001607957129 1072689748 /nfs/dbraw/zinc/68/97/48/1072689748.db2.gz VHVMXILQWOMVOR-UHFFFAOYSA-N 1 0 443.556 0.327 20 0 ICADRO CC(C)[NH+](CCCn1c(CC2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001608026320 1072689743 /nfs/dbraw/zinc/68/97/43/1072689743.db2.gz FFLCBWIPPIGJDT-GOSISDBHSA-N 1 0 431.585 0.887 20 0 ICADRO CC(C)[NH+](CCCn1c(CC2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001608026321 1072689798 /nfs/dbraw/zinc/68/97/98/1072689798.db2.gz FFLCBWIPPIGJDT-SFHVURJKSA-N 1 0 431.585 0.887 20 0 ICADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001608033330 1072689670 /nfs/dbraw/zinc/68/96/70/1072689670.db2.gz RQTLEQRSYZJPLE-KRWDZBQOSA-N 1 0 440.552 0.606 20 0 ICADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001608033331 1072690182 /nfs/dbraw/zinc/69/01/82/1072690182.db2.gz RQTLEQRSYZJPLE-QGZVFWFLSA-N 1 0 440.552 0.606 20 0 ICADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001608033339 1072690321 /nfs/dbraw/zinc/69/03/21/1072690321.db2.gz RWBHSARHEXYUAY-KRWDZBQOSA-N 1 0 442.568 0.549 20 0 ICADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001608033340 1072690281 /nfs/dbraw/zinc/69/02/81/1072690281.db2.gz RWBHSARHEXYUAY-QGZVFWFLSA-N 1 0 442.568 0.549 20 0 ICADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001608033508 1072690155 /nfs/dbraw/zinc/69/01/55/1072690155.db2.gz AZKQXLFKZWXHMU-INIZCTEOSA-N 1 0 434.566 0.198 20 0 ICADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001608033510 1072690253 /nfs/dbraw/zinc/69/02/53/1072690253.db2.gz AZKQXLFKZWXHMU-MRXNPFEDSA-N 1 0 434.566 0.198 20 0 ICADRO CN1CCn2ncc(C(=O)NCCc3ccc(N4CC[NH+](C)CC4)cc3)c2S1(=O)=O ZINC001608034938 1072690191 /nfs/dbraw/zinc/69/01/91/1072690191.db2.gz PJXWJPCMMXGPEQ-UHFFFAOYSA-N 1 0 432.550 0.242 20 0 ICADRO Cc1nc(S(=O)(=O)NCC(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)cn1C ZINC001608035683 1072690239 /nfs/dbraw/zinc/69/02/39/1072690239.db2.gz YNZTZDIPGYWSDE-UHFFFAOYSA-N 1 0 434.566 0.118 20 0 ICADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001608039609 1072690171 /nfs/dbraw/zinc/69/01/71/1072690171.db2.gz ANUUCTONIQTKEH-INIZCTEOSA-N 1 0 441.540 0.001 20 0 ICADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001608039610 1072690209 /nfs/dbraw/zinc/69/02/09/1072690209.db2.gz ANUUCTONIQTKEH-MRXNPFEDSA-N 1 0 441.540 0.001 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC001608041111 1072690349 /nfs/dbraw/zinc/69/03/49/1072690349.db2.gz XLLLWXFTLSJWBC-INIZCTEOSA-N 1 0 441.602 0.430 20 0 ICADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC001608041112 1072690229 /nfs/dbraw/zinc/69/02/29/1072690229.db2.gz XLLLWXFTLSJWBC-MRXNPFEDSA-N 1 0 441.602 0.430 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)CC2)CC1 ZINC001608052555 1072690356 /nfs/dbraw/zinc/69/03/56/1072690356.db2.gz GLEKMAVBMJMWJM-UHFFFAOYSA-N 1 0 438.598 0.318 20 0 ICADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4cnccn4)n3CC(=O)N(C)C)CC2)CC1 ZINC001608052573 1072690329 /nfs/dbraw/zinc/69/03/29/1072690329.db2.gz HDFARUZDLMKWIX-UHFFFAOYSA-N 1 0 441.584 0.818 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001608052599 1072690305 /nfs/dbraw/zinc/69/03/05/1072690305.db2.gz IGEAEJMYDYPVMI-KRWDZBQOSA-N 1 0 447.584 0.416 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001608052600 1072690364 /nfs/dbraw/zinc/69/03/64/1072690364.db2.gz IGEAEJMYDYPVMI-QGZVFWFLSA-N 1 0 447.584 0.416 20 0 ICADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C ZINC001608052698 1072690217 /nfs/dbraw/zinc/69/02/17/1072690217.db2.gz JIEZPUABDTVJIJ-KRWDZBQOSA-N 1 0 432.573 0.733 20 0 ICADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C ZINC001608052700 1072690313 /nfs/dbraw/zinc/69/03/13/1072690313.db2.gz JIEZPUABDTVJIJ-QGZVFWFLSA-N 1 0 432.573 0.733 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001608052837 1072690337 /nfs/dbraw/zinc/69/03/37/1072690337.db2.gz KNICTBDWKHBECK-NRFANRHFSA-N 1 0 447.584 0.451 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001608052839 1072690272 /nfs/dbraw/zinc/69/02/72/1072690272.db2.gz KNICTBDWKHBECK-OAQYLSRUSA-N 1 0 447.584 0.451 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001608059777 1072690146 /nfs/dbraw/zinc/69/01/46/1072690146.db2.gz DWXBGERRVNWPIZ-CVEARBPZSA-N 1 0 433.557 0.131 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001608059778 1072690711 /nfs/dbraw/zinc/69/07/11/1072690711.db2.gz DWXBGERRVNWPIZ-HOTGVXAUSA-N 1 0 433.557 0.131 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001608059780 1072690658 /nfs/dbraw/zinc/69/06/58/1072690658.db2.gz DWXBGERRVNWPIZ-HZPDHXFCSA-N 1 0 433.557 0.131 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001608059781 1072690681 /nfs/dbraw/zinc/69/06/81/1072690681.db2.gz DWXBGERRVNWPIZ-JKSUJKDBSA-N 1 0 433.557 0.131 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001608060380 1072690685 /nfs/dbraw/zinc/69/06/85/1072690685.db2.gz VCZMEHYODVEFNU-HOTGVXAUSA-N 1 0 433.557 0.166 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001608060381 1072690672 /nfs/dbraw/zinc/69/06/72/1072690672.db2.gz VCZMEHYODVEFNU-JKSUJKDBSA-N 1 0 433.557 0.166 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001608060432 1072690669 /nfs/dbraw/zinc/69/06/69/1072690669.db2.gz XAJONLVYCZCDAQ-INIZCTEOSA-N 1 0 430.557 0.616 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001608060433 1072690691 /nfs/dbraw/zinc/69/06/91/1072690691.db2.gz XAJONLVYCZCDAQ-MRXNPFEDSA-N 1 0 430.557 0.616 20 0 ICADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001608060482 1072690679 /nfs/dbraw/zinc/69/06/79/1072690679.db2.gz YUCDKPWNZPUJLP-UHFFFAOYSA-N 1 0 428.603 0.766 20 0 ICADRO 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CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001608468610 1072709047 /nfs/dbraw/zinc/70/90/47/1072709047.db2.gz FKMOPQOSWOYQMR-VGSWGCGISA-N 1 0 447.584 0.226 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001608469431 1072709549 /nfs/dbraw/zinc/70/95/49/1072709549.db2.gz MKOUCIUBCUWSDA-HNNXBMFYSA-N 1 0 428.541 0.557 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001608469432 1072709456 /nfs/dbraw/zinc/70/94/56/1072709456.db2.gz MKOUCIUBCUWSDA-OAHLLOKOSA-N 1 0 428.541 0.557 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001608469616 1072709675 /nfs/dbraw/zinc/70/96/75/1072709675.db2.gz NXKMODYOBNWGHT-HRCADAONSA-N 1 0 436.513 0.377 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001608469617 1072709411 /nfs/dbraw/zinc/70/94/11/1072709411.db2.gz NXKMODYOBNWGHT-JYJNAYRXSA-N 1 0 436.513 0.377 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001608469618 1072709692 /nfs/dbraw/zinc/70/96/92/1072709692.db2.gz NXKMODYOBNWGHT-OWCLPIDISA-N 1 0 436.513 0.377 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001608469619 1072709586 /nfs/dbraw/zinc/70/95/86/1072709586.db2.gz NXKMODYOBNWGHT-PMPSAXMXSA-N 1 0 436.513 0.377 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001608473600 1072709753 /nfs/dbraw/zinc/70/97/53/1072709753.db2.gz HXNCLQHGCJOGMP-INIZCTEOSA-N 1 0 435.573 0.355 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001608473602 1072709446 /nfs/dbraw/zinc/70/94/46/1072709446.db2.gz HXNCLQHGCJOGMP-MRXNPFEDSA-N 1 0 435.573 0.355 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001608474099 1072710182 /nfs/dbraw/zinc/71/01/82/1072710182.db2.gz MWWXVDCXJRDXAG-INIZCTEOSA-N 1 0 435.573 0.619 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001608474100 1072710129 /nfs/dbraw/zinc/71/01/29/1072710129.db2.gz MWWXVDCXJRDXAG-MRXNPFEDSA-N 1 0 435.573 0.619 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001608475130 1072710100 /nfs/dbraw/zinc/71/01/00/1072710100.db2.gz ZNWNKABEUWAWDM-DLBZAZTESA-N 1 0 435.573 0.355 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001608475132 1072710151 /nfs/dbraw/zinc/71/01/51/1072710151.db2.gz ZNWNKABEUWAWDM-IAGOWNOFSA-N 1 0 435.573 0.355 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001608475133 1072710053 /nfs/dbraw/zinc/71/00/53/1072710053.db2.gz ZNWNKABEUWAWDM-IRXDYDNUSA-N 1 0 435.573 0.355 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001608475134 1072710015 /nfs/dbraw/zinc/71/00/15/1072710015.db2.gz ZNWNKABEUWAWDM-SJORKVTESA-N 1 0 435.573 0.355 20 0 ICADRO 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CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001608538906 1072713874 /nfs/dbraw/zinc/71/38/74/1072713874.db2.gz WYGJFGSGTKEQDK-MSOLQXFVSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001608538908 1072713863 /nfs/dbraw/zinc/71/38/63/1072713863.db2.gz WYGJFGSGTKEQDK-QZTJIDSGSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001608538911 1072713849 /nfs/dbraw/zinc/71/38/49/1072713849.db2.gz WYGJFGSGTKEQDK-ROUUACIJSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001608538913 1072713944 /nfs/dbraw/zinc/71/39/44/1072713944.db2.gz WYGJFGSGTKEQDK-ZWKOTPCHSA-N 1 0 447.584 0.728 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001608551892 1072714428 /nfs/dbraw/zinc/71/44/28/1072714428.db2.gz MGKDSWYIJOOIKU-KBXCAEBGSA-N 1 0 447.506 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001608551893 1072714361 /nfs/dbraw/zinc/71/43/61/1072714361.db2.gz MGKDSWYIJOOIKU-KDOFPFPSSA-N 1 0 447.506 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001608551894 1072714335 /nfs/dbraw/zinc/71/43/35/1072714335.db2.gz MGKDSWYIJOOIKU-KSSFIOAISA-N 1 0 447.506 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001608551895 1072714460 /nfs/dbraw/zinc/71/44/60/1072714460.db2.gz MGKDSWYIJOOIKU-RDTXWAMCSA-N 1 0 447.506 0.556 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1CCOCC[NH+](C)C ZINC001608571109 1072715360 /nfs/dbraw/zinc/71/53/60/1072715360.db2.gz CLFWGWFSYBXZGR-UHFFFAOYSA-N 1 0 448.547 0.855 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CCC[NH+]1CCCC1 ZINC001608571468 1072715776 /nfs/dbraw/zinc/71/57/76/1072715776.db2.gz GRWFFMHXNGCXGK-UHFFFAOYSA-N 1 0 443.556 0.489 20 0 ICADRO 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433.557 0.074 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001608607252 1072719733 /nfs/dbraw/zinc/71/97/33/1072719733.db2.gz RHADFIFGKKODSM-IAGOWNOFSA-N 1 0 433.557 0.074 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001608607253 1072719877 /nfs/dbraw/zinc/71/98/77/1072719877.db2.gz RHADFIFGKKODSM-IRXDYDNUSA-N 1 0 433.557 0.074 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001608607254 1072719899 /nfs/dbraw/zinc/71/98/99/1072719899.db2.gz RHADFIFGKKODSM-SJORKVTESA-N 1 0 433.557 0.074 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001608607941 1072720374 /nfs/dbraw/zinc/72/03/74/1072720374.db2.gz XRIITBATUAGAHS-MSOLQXFVSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001608607942 1072720421 /nfs/dbraw/zinc/72/04/21/1072720421.db2.gz XRIITBATUAGAHS-QZTJIDSGSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001608607943 1072720369 /nfs/dbraw/zinc/72/03/69/1072720369.db2.gz XRIITBATUAGAHS-ROUUACIJSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001608607944 1072720340 /nfs/dbraw/zinc/72/03/40/1072720340.db2.gz XRIITBATUAGAHS-ZWKOTPCHSA-N 1 0 447.584 0.464 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCNC(=O)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001609506968 1072721381 /nfs/dbraw/zinc/72/13/81/1072721381.db2.gz LZRVYFTVDAMVLO-UHFFFAOYSA-N 1 0 426.525 0.664 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCNC(=O)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001609507012 1072721323 /nfs/dbraw/zinc/72/13/23/1072721323.db2.gz MIYKNVBVQXBDAA-UHFFFAOYSA-N 1 0 433.557 0.388 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001609513612 1072722940 /nfs/dbraw/zinc/72/29/40/1072722940.db2.gz IUSNWEUHHNKTPX-PMACEKPBSA-N 1 0 438.598 0.849 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001609513613 1072723071 /nfs/dbraw/zinc/72/30/71/1072723071.db2.gz IUSNWEUHHNKTPX-UXHICEINSA-N 1 0 438.598 0.849 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001609513614 1072723030 /nfs/dbraw/zinc/72/30/30/1072723030.db2.gz IUSNWEUHHNKTPX-VQTJNVASSA-N 1 0 438.598 0.849 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001609513615 1072722985 /nfs/dbraw/zinc/72/29/85/1072722985.db2.gz IUSNWEUHHNKTPX-WOJBJXKFSA-N 1 0 438.598 0.849 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001609516243 1072723513 /nfs/dbraw/zinc/72/35/13/1072723513.db2.gz IZBSVHNQKYKEKZ-HNNXBMFYSA-N 1 0 426.587 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001609516244 1072723534 /nfs/dbraw/zinc/72/35/34/1072723534.db2.gz IZBSVHNQKYKEKZ-OAHLLOKOSA-N 1 0 426.587 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001609517453 1072723942 /nfs/dbraw/zinc/72/39/42/1072723942.db2.gz ZJUMQYJEHGDKMK-UHFFFAOYSA-N 1 0 426.587 0.916 20 0 ICADRO CC(C)NC(=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001609520986 1072724434 /nfs/dbraw/zinc/72/44/34/1072724434.db2.gz RWKUBZLPUBCWDZ-KDURUIRLSA-N 1 0 444.536 0.967 20 0 ICADRO CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001609522570 1072724419 /nfs/dbraw/zinc/72/44/19/1072724419.db2.gz KPJJUFUCVDOGAX-HRCADAONSA-N 1 0 441.602 0.476 20 0 ICADRO CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001609522571 1072724327 /nfs/dbraw/zinc/72/43/27/1072724327.db2.gz KPJJUFUCVDOGAX-JYJNAYRXSA-N 1 0 441.602 0.476 20 0 ICADRO CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001609522572 1072724365 /nfs/dbraw/zinc/72/43/65/1072724365.db2.gz KPJJUFUCVDOGAX-OWCLPIDISA-N 1 0 441.602 0.476 20 0 ICADRO CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001609522573 1072724460 /nfs/dbraw/zinc/72/44/60/1072724460.db2.gz KPJJUFUCVDOGAX-PMPSAXMXSA-N 1 0 441.602 0.476 20 0 ICADRO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001609792248 1072725374 /nfs/dbraw/zinc/72/53/74/1072725374.db2.gz AOFMLERITQVXPE-UHFFFAOYSA-N 1 0 428.541 0.951 20 0 ICADRO CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001609792916 1072725251 /nfs/dbraw/zinc/72/52/51/1072725251.db2.gz DGZJSQPCWZGIDL-GOSISDBHSA-N 1 0 430.557 0.894 20 0 ICADRO CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001609792917 1072725286 /nfs/dbraw/zinc/72/52/86/1072725286.db2.gz DGZJSQPCWZGIDL-SFHVURJKSA-N 1 0 430.557 0.894 20 0 ICADRO CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001609793256 1072725348 /nfs/dbraw/zinc/72/53/48/1072725348.db2.gz FTBORQNUBSDZAC-ROUUACIJSA-N 1 0 447.584 0.693 20 0 ICADRO CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001609793258 1072725329 /nfs/dbraw/zinc/72/53/29/1072725329.db2.gz FTBORQNUBSDZAC-ZWKOTPCHSA-N 1 0 447.584 0.693 20 0 ICADRO CC(C)NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001609914706 1072726759 /nfs/dbraw/zinc/72/67/59/1072726759.db2.gz ISCKJHCJBRBJAB-UHFFFAOYSA-N 1 0 449.600 0.710 20 0 ICADRO CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001610016191 1072729013 /nfs/dbraw/zinc/72/90/13/1072729013.db2.gz AVUOUSJHFGMNCB-HNNXBMFYSA-N 1 0 441.602 0.478 20 0 ICADRO CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001610016192 1072728942 /nfs/dbraw/zinc/72/89/42/1072728942.db2.gz AVUOUSJHFGMNCB-OAHLLOKOSA-N 1 0 441.602 0.478 20 0 ICADRO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001610016224 1072728871 /nfs/dbraw/zinc/72/88/71/1072728871.db2.gz BYXSTKNEVCQUSH-UHFFFAOYSA-N 1 0 447.584 0.587 20 0 ICADRO CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001610016961 1072728927 /nfs/dbraw/zinc/72/89/27/1072728927.db2.gz JQCAPBPANHMTID-GOSISDBHSA-N 1 0 448.616 0.546 20 0 ICADRO CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001610016976 1072728968 /nfs/dbraw/zinc/72/89/68/1072728968.db2.gz JQCAPBPANHMTID-SFHVURJKSA-N 1 0 448.616 0.546 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001610055775 1072729984 /nfs/dbraw/zinc/72/99/84/1072729984.db2.gz ILUXBQFYQKLFNG-GOSISDBHSA-N 1 0 442.568 0.551 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001610055776 1072729904 /nfs/dbraw/zinc/72/99/04/1072729904.db2.gz ILUXBQFYQKLFNG-SFHVURJKSA-N 1 0 442.568 0.551 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001610057264 1072730435 /nfs/dbraw/zinc/73/04/35/1072730435.db2.gz NGDLXPYIEGAGSR-INIZCTEOSA-N 1 0 428.541 0.949 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001610057358 1072730396 /nfs/dbraw/zinc/73/03/96/1072730396.db2.gz ONPLEEXGCKNDNI-KRWDZBQOSA-N 1 0 428.541 0.541 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001610057359 1072730448 /nfs/dbraw/zinc/73/04/48/1072730448.db2.gz ONPLEEXGCKNDNI-QGZVFWFLSA-N 1 0 428.541 0.541 20 0 ICADRO CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001610058013 1072730584 /nfs/dbraw/zinc/73/05/84/1072730584.db2.gz ZEJVJJPQXUBKSC-UHFFFAOYSA-N 1 0 440.552 0.609 20 0 ICADRO Cn1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(I)n1 ZINC001610064461 1072730699 /nfs/dbraw/zinc/73/06/99/1072730699.db2.gz JZYWMARKJTYHAB-GFCCVEGCSA-N 1 0 431.278 0.579 20 0 ICADRO Cn1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(I)n1 ZINC001610064462 1072730606 /nfs/dbraw/zinc/73/06/06/1072730606.db2.gz JZYWMARKJTYHAB-LBPRGKRZSA-N 1 0 431.278 0.579 20 0 ICADRO CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC001610065262 1072730376 /nfs/dbraw/zinc/73/03/76/1072730376.db2.gz QECDDJXLMDXPRD-DLBZAZTESA-N 1 0 436.553 0.507 20 0 ICADRO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC001610065263 1072730469 /nfs/dbraw/zinc/73/04/69/1072730469.db2.gz QECDDJXLMDXPRD-IAGOWNOFSA-N 1 0 436.553 0.507 20 0 ICADRO CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC001610065264 1072730563 /nfs/dbraw/zinc/73/05/63/1072730563.db2.gz QECDDJXLMDXPRD-IRXDYDNUSA-N 1 0 436.553 0.507 20 0 ICADRO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC001610065265 1072730354 /nfs/dbraw/zinc/73/03/54/1072730354.db2.gz QECDDJXLMDXPRD-SJORKVTESA-N 1 0 436.553 0.507 20 0 ICADRO Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001610065893 1072730533 /nfs/dbraw/zinc/73/05/33/1072730533.db2.gz WYJUJYKXCFLHMX-AWEZNQCLSA-N 1 0 428.580 0.479 20 0 ICADRO Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001610065894 1072730504 /nfs/dbraw/zinc/73/05/04/1072730504.db2.gz WYJUJYKXCFLHMX-CQSZACIVSA-N 1 0 428.580 0.479 20 0 ICADRO CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001610091628 1072732002 /nfs/dbraw/zinc/73/20/02/1072732002.db2.gz QJGMCKDTSKNXKZ-DLBZAZTESA-N 1 0 438.598 0.769 20 0 ICADRO CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001610091629 1072732083 /nfs/dbraw/zinc/73/20/83/1072732083.db2.gz QJGMCKDTSKNXKZ-IAGOWNOFSA-N 1 0 438.598 0.769 20 0 ICADRO CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001610091630 1072732124 /nfs/dbraw/zinc/73/21/24/1072732124.db2.gz QJGMCKDTSKNXKZ-IRXDYDNUSA-N 1 0 438.598 0.769 20 0 ICADRO CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001610091631 1072731984 /nfs/dbraw/zinc/73/19/84/1072731984.db2.gz QJGMCKDTSKNXKZ-SJORKVTESA-N 1 0 438.598 0.769 20 0 ICADRO CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001610100597 1072732712 /nfs/dbraw/zinc/73/27/12/1072732712.db2.gz AGTMEMNSHQBCGN-FQEVSTJZSA-N 1 0 447.628 0.986 20 0 ICADRO CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001610100598 1072732644 /nfs/dbraw/zinc/73/26/44/1072732644.db2.gz AGTMEMNSHQBCGN-HXUWFJFHSA-N 1 0 447.628 0.986 20 0 ICADRO CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001610112127 1072733141 /nfs/dbraw/zinc/73/31/41/1072733141.db2.gz MNWNVFJACZFEPJ-UHFFFAOYSA-N 1 0 447.584 0.474 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001610121308 1072733800 /nfs/dbraw/zinc/73/38/00/1072733800.db2.gz GUXFLGOZMJCUJG-UHFFFAOYSA-N 1 0 448.616 0.547 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001610145923 1072734665 /nfs/dbraw/zinc/73/46/65/1072734665.db2.gz NRBNXHYWDGFAAJ-GOSISDBHSA-N 1 0 428.585 0.861 20 0 ICADRO CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001610145924 1072734651 /nfs/dbraw/zinc/73/46/51/1072734651.db2.gz NRBNXHYWDGFAAJ-SFHVURJKSA-N 1 0 428.585 0.861 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncn(C)n2)CC1 ZINC001610188199 1072737009 /nfs/dbraw/zinc/73/70/09/1072737009.db2.gz OZHSGEGOUKGJQA-CYBMUJFWSA-N 1 0 425.563 0.032 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncn(C)n2)CC1 ZINC001610188206 1072737168 /nfs/dbraw/zinc/73/71/68/1072737168.db2.gz OZHSGEGOUKGJQA-ZDUSSCGKSA-N 1 0 425.563 0.032 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001610188743 1072737022 /nfs/dbraw/zinc/73/70/22/1072737022.db2.gz RTXAXJBOUWVHQG-INIZCTEOSA-N 1 0 438.598 0.916 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001610188746 1072737177 /nfs/dbraw/zinc/73/71/77/1072737177.db2.gz RTXAXJBOUWVHQG-MRXNPFEDSA-N 1 0 438.598 0.916 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)CC1 ZINC001610188873 1072736980 /nfs/dbraw/zinc/73/69/80/1072736980.db2.gz SUZRJUGEYLQTGP-AWEZNQCLSA-N 1 0 429.591 0.333 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)CC1 ZINC001610188876 1072737099 /nfs/dbraw/zinc/73/70/99/1072737099.db2.gz SUZRJUGEYLQTGP-CQSZACIVSA-N 1 0 429.591 0.333 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001610189102 1072737107 /nfs/dbraw/zinc/73/71/07/1072737107.db2.gz UYXBUEHIDOQHQU-DOXZYTNZSA-N 1 0 444.602 0.395 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001610189103 1072737068 /nfs/dbraw/zinc/73/70/68/1072737068.db2.gz UYXBUEHIDOQHQU-KHYOSLBOSA-N 1 0 444.602 0.395 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001610189104 1072737055 /nfs/dbraw/zinc/73/70/55/1072737055.db2.gz UYXBUEHIDOQHQU-QMTMVMCOSA-N 1 0 444.602 0.395 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001610189105 1072737141 /nfs/dbraw/zinc/73/71/41/1072737141.db2.gz UYXBUEHIDOQHQU-YZVOILCLSA-N 1 0 444.602 0.395 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001610207242 1072737521 /nfs/dbraw/zinc/73/75/21/1072737521.db2.gz CKAQCKIQSOIDQF-FQEVSTJZSA-N 1 0 434.566 0.857 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001610207243 1072737680 /nfs/dbraw/zinc/73/76/80/1072737680.db2.gz CKAQCKIQSOIDQF-HXUWFJFHSA-N 1 0 434.566 0.857 20 0 ICADRO CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)CC1 ZINC001610258171 1072737607 /nfs/dbraw/zinc/73/76/07/1072737607.db2.gz CPBAEVFKTQIVHQ-UHFFFAOYSA-N 1 0 426.587 0.802 20 0 ICADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC001610276635 1072738523 /nfs/dbraw/zinc/73/85/23/1072738523.db2.gz CYLRTYGUAXFYGH-FHWLQOOXSA-N 1 0 425.551 0.348 20 0 ICADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC001610276636 1072738581 /nfs/dbraw/zinc/73/85/81/1072738581.db2.gz CYLRTYGUAXFYGH-OTWHNJEPSA-N 1 0 425.551 0.348 20 0 ICADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC001610276637 1072738673 /nfs/dbraw/zinc/73/86/73/1072738673.db2.gz CYLRTYGUAXFYGH-QRVBRYPASA-N 1 0 425.551 0.348 20 0 ICADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC001610276638 1072738571 /nfs/dbraw/zinc/73/85/71/1072738571.db2.gz CYLRTYGUAXFYGH-QYZOEREBSA-N 1 0 425.551 0.348 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001610295311 1072739172 /nfs/dbraw/zinc/73/91/72/1072739172.db2.gz VAXLYTTZBGJYIV-INIZCTEOSA-N 1 0 439.586 0.232 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001610295312 1072739120 /nfs/dbraw/zinc/73/91/20/1072739120.db2.gz VAXLYTTZBGJYIV-MRXNPFEDSA-N 1 0 439.586 0.232 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001610305285 1072740537 /nfs/dbraw/zinc/74/05/37/1072740537.db2.gz QWSWARCUAOYEFX-KRWDZBQOSA-N 1 0 426.587 0.642 20 0 ICADRO CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001610305286 1072740601 /nfs/dbraw/zinc/74/06/01/1072740601.db2.gz QWSWARCUAOYEFX-QGZVFWFLSA-N 1 0 426.587 0.642 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001610414345 1072743516 /nfs/dbraw/zinc/74/35/16/1072743516.db2.gz GARLUKWIGAJFMK-LEWJYISDSA-N 1 0 436.557 0.087 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001610414347 1072743279 /nfs/dbraw/zinc/74/32/79/1072743279.db2.gz GARLUKWIGAJFMK-NHCUHLMSSA-N 1 0 436.557 0.087 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001610414349 1072743358 /nfs/dbraw/zinc/74/33/58/1072743358.db2.gz GARLUKWIGAJFMK-RTWAWAEBSA-N 1 0 436.557 0.087 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001610414350 1072743400 /nfs/dbraw/zinc/74/34/00/1072743400.db2.gz GARLUKWIGAJFMK-SFTDATJTSA-N 1 0 436.557 0.087 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001610903210 1072746393 /nfs/dbraw/zinc/74/63/93/1072746393.db2.gz MWGTWDXCQVMPKM-PMACEKPBSA-N 1 0 438.598 0.692 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001610903212 1072746455 /nfs/dbraw/zinc/74/64/55/1072746455.db2.gz MWGTWDXCQVMPKM-UXHICEINSA-N 1 0 438.598 0.692 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001610903215 1072746436 /nfs/dbraw/zinc/74/64/36/1072746436.db2.gz MWGTWDXCQVMPKM-VQTJNVASSA-N 1 0 438.598 0.692 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001610903217 1072746402 /nfs/dbraw/zinc/74/64/02/1072746402.db2.gz MWGTWDXCQVMPKM-WOJBJXKFSA-N 1 0 438.598 0.692 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001610903487 1072746444 /nfs/dbraw/zinc/74/64/44/1072746444.db2.gz NKEYMXYVMXKOMU-DYESRHJHSA-N 1 0 435.573 0.873 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001610903488 1072746408 /nfs/dbraw/zinc/74/64/08/1072746408.db2.gz NKEYMXYVMXKOMU-LAUBAEHRSA-N 1 0 435.573 0.873 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001610903489 1072746499 /nfs/dbraw/zinc/74/64/99/1072746499.db2.gz NKEYMXYVMXKOMU-UTKZUKDTSA-N 1 0 435.573 0.873 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001610903490 1072746473 /nfs/dbraw/zinc/74/64/73/1072746473.db2.gz NKEYMXYVMXKOMU-UWJYYQICSA-N 1 0 435.573 0.873 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC001610903919 1072746333 /nfs/dbraw/zinc/74/63/33/1072746333.db2.gz PLWGGAGGIXBEPG-JOCHJYFZSA-N 1 0 449.600 0.281 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC001610903923 1072746484 /nfs/dbraw/zinc/74/64/84/1072746484.db2.gz PLWGGAGGIXBEPG-QFIPXVFZSA-N 1 0 449.600 0.281 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCNC(=O)C3)n2CCCC[NH+]2CCOCC2)CCOC1 ZINC001610904781 1072746349 /nfs/dbraw/zinc/74/63/49/1072746349.db2.gz VWOHKNGWAOAQQF-NRFANRHFSA-N 1 0 436.557 0.367 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCNC(=O)C3)n2CCCC[NH+]2CCOCC2)CCOC1 ZINC001610904782 1072746420 /nfs/dbraw/zinc/74/64/20/1072746420.db2.gz VWOHKNGWAOAQQF-OAQYLSRUSA-N 1 0 436.557 0.367 20 0 ICADRO CC(C)O[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCOCC[NH+](C)C)CCOC1 ZINC001610910205 1072747294 /nfs/dbraw/zinc/74/72/94/1072747294.db2.gz LWWUBIHWFIPYSE-IBGZPJMESA-N 1 0 445.586 0.132 20 0 ICADRO CC(C)O[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCOCC[NH+](C)C)CCOC1 ZINC001610910206 1072747324 /nfs/dbraw/zinc/74/73/24/1072747324.db2.gz LWWUBIHWFIPYSE-LJQANCHMSA-N 1 0 445.586 0.132 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[NH+](CC4CCOCC4)CC3)nc2n(C)c1=O ZINC001610925211 1072748206 /nfs/dbraw/zinc/74/82/06/1072748206.db2.gz QWMVWKSZAZFZHI-UHFFFAOYSA-N 1 0 444.536 0.562 20 0 ICADRO CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001610931858 1072748313 /nfs/dbraw/zinc/74/83/13/1072748313.db2.gz IFFHALIIGBQVGN-BHIYHBOVSA-N 1 0 429.631 0.698 20 0 ICADRO CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001610931863 1072748387 /nfs/dbraw/zinc/74/83/87/1072748387.db2.gz IFFHALIIGBQVGN-QRQLOZEOSA-N 1 0 429.631 0.698 20 0 ICADRO CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001610931864 1072748359 /nfs/dbraw/zinc/74/83/59/1072748359.db2.gz IFFHALIIGBQVGN-QXAKKESOSA-N 1 0 429.631 0.698 20 0 ICADRO CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001610931865 1072748250 /nfs/dbraw/zinc/74/82/50/1072748250.db2.gz IFFHALIIGBQVGN-UHOSZYNNSA-N 1 0 429.631 0.698 20 0 ICADRO C[NH+](C)CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccnc1 ZINC001610932650 1072748289 /nfs/dbraw/zinc/74/82/89/1072748289.db2.gz JUJFXQTUGVGINB-IBGZPJMESA-N 1 0 445.545 0.625 20 0 ICADRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccnc1 ZINC001610932656 1072748220 /nfs/dbraw/zinc/74/82/20/1072748220.db2.gz JUJFXQTUGVGINB-LJQANCHMSA-N 1 0 445.545 0.625 20 0 ICADRO CC(C)[C@H](CNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[NH+]1CCN(C)CC1 ZINC001610961532 1072749162 /nfs/dbraw/zinc/74/91/62/1072749162.db2.gz CCSFHFVCQRIASA-MSOLQXFVSA-N 1 0 439.601 0.842 20 0 ICADRO CC(C)[C@@H](CNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[NH+]1CCN(C)CC1 ZINC001610961533 1072749401 /nfs/dbraw/zinc/74/94/01/1072749401.db2.gz CCSFHFVCQRIASA-QZTJIDSGSA-N 1 0 439.601 0.842 20 0 ICADRO CC(C)[C@H](CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[NH+]1CCN(C)CC1 ZINC001610961534 1072749308 /nfs/dbraw/zinc/74/93/08/1072749308.db2.gz CCSFHFVCQRIASA-ROUUACIJSA-N 1 0 439.601 0.842 20 0 ICADRO CC(C)[C@@H](CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[NH+]1CCN(C)CC1 ZINC001610961535 1072749180 /nfs/dbraw/zinc/74/91/80/1072749180.db2.gz CCSFHFVCQRIASA-ZWKOTPCHSA-N 1 0 439.601 0.842 20 0 ICADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001610963008 1072749802 /nfs/dbraw/zinc/74/98/02/1072749802.db2.gz ILNYUPIRDVWBKE-OAHLLOKOSA-N 1 0 428.497 0.631 20 0 ICADRO CN1CCn2ncc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3)c2S1(=O)=O ZINC001610995791 1072751659 /nfs/dbraw/zinc/75/16/59/1072751659.db2.gz MVHNVMXTVPUDFA-HNNXBMFYSA-N 1 0 446.533 0.467 20 0 ICADRO CN1CCn2ncc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)c2S1(=O)=O ZINC001610995792 1072751684 /nfs/dbraw/zinc/75/16/84/1072751684.db2.gz MVHNVMXTVPUDFA-OAHLLOKOSA-N 1 0 446.533 0.467 20 0 ICADRO CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001611069589 1072755591 /nfs/dbraw/zinc/75/55/91/1072755591.db2.gz AIPREZWPUGNSTI-INIZCTEOSA-N 1 0 444.602 0.614 20 0 ICADRO CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001611069592 1072755652 /nfs/dbraw/zinc/75/56/52/1072755652.db2.gz AIPREZWPUGNSTI-MRXNPFEDSA-N 1 0 444.602 0.614 20 0 ICADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C)nc1I ZINC001611094012 1072757659 /nfs/dbraw/zinc/75/76/59/1072757659.db2.gz LWYVSEAFQOSSHJ-GFCCVEGCSA-N 1 0 433.294 0.697 20 0 ICADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C)nc1I ZINC001611094013 1072757565 /nfs/dbraw/zinc/75/75/65/1072757565.db2.gz LWYVSEAFQOSSHJ-LBPRGKRZSA-N 1 0 433.294 0.697 20 0 ICADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)N2CCOCC2)CC1 ZINC001611109167 1072758132 /nfs/dbraw/zinc/75/81/32/1072758132.db2.gz LETZRSPXRGHWPA-UHFFFAOYSA-N 1 0 444.540 0.141 20 0 ICADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)N2CCOCC2)CC1 ZINC001611109322 1072758197 /nfs/dbraw/zinc/75/81/97/1072758197.db2.gz QXWATVFHIDBRDO-UHFFFAOYSA-N 1 0 431.541 0.679 20 0 ICADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N2CCOCC2)CC1 ZINC001611109526 1072758017 /nfs/dbraw/zinc/75/80/17/1072758017.db2.gz WTVQKZBNUAANOU-UHFFFAOYSA-N 1 0 446.556 0.084 20 0 ICADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc([C@@H]3CCC[N@H+](C)C3)c1)C2 ZINC001611154847 1072763102 /nfs/dbraw/zinc/76/31/02/1072763102.db2.gz STPFFYPXTSAKTH-GOSISDBHSA-N 1 0 426.521 0.598 20 0 ICADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc([C@H]3CCC[N@H+](C)C3)c1)C2 ZINC001611154850 1072763118 /nfs/dbraw/zinc/76/31/18/1072763118.db2.gz STPFFYPXTSAKTH-SFHVURJKSA-N 1 0 426.521 0.598 20 0 ICADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC001611181794 1072763988 /nfs/dbraw/zinc/76/39/88/1072763988.db2.gz CCGRXXKJZFLYQQ-INIZCTEOSA-N 1 0 436.372 0.936 20 0 ICADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC001611181795 1072764123 /nfs/dbraw/zinc/76/41/23/1072764123.db2.gz CCGRXXKJZFLYQQ-MRXNPFEDSA-N 1 0 436.372 0.936 20 0 ICADRO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001611211408 1072765036 /nfs/dbraw/zinc/76/50/36/1072765036.db2.gz FQNWECQWQLVLCI-INIZCTEOSA-N 1 0 443.591 0.681 20 0 ICADRO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001611211409 1072765174 /nfs/dbraw/zinc/76/51/74/1072765174.db2.gz FQNWECQWQLVLCI-MRXNPFEDSA-N 1 0 443.591 0.681 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC001611212632 1072765152 /nfs/dbraw/zinc/76/51/52/1072765152.db2.gz QMQKEPOWEOXEQJ-KRWDZBQOSA-N 1 0 440.566 0.248 20 0 ICADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC001611212635 1072765208 /nfs/dbraw/zinc/76/52/08/1072765208.db2.gz QMQKEPOWEOXEQJ-QGZVFWFLSA-N 1 0 440.566 0.248 20 0 ICADRO CC[NH+](CC)CCOCCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001611228045 1072765081 /nfs/dbraw/zinc/76/50/81/1072765081.db2.gz SYSWGXVGCRYNMK-INIZCTEOSA-N 1 0 435.587 0.885 20 0 ICADRO CC[NH+](CC)CCOCCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001611228046 1072765483 /nfs/dbraw/zinc/76/54/83/1072765483.db2.gz SYSWGXVGCRYNMK-MRXNPFEDSA-N 1 0 435.587 0.885 20 0 ICADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3nnc(C(C)(C)S(C)(=O)=O)o3)CC2)CC1 ZINC001611288763 1072767175 /nfs/dbraw/zinc/76/71/75/1072767175.db2.gz TXPBLHYTGGOIGM-UHFFFAOYSA-N 1 0 427.571 0.839 20 0 ICADRO CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001611293469 1072767939 /nfs/dbraw/zinc/76/79/39/1072767939.db2.gz QTXIBOJPRVMIIL-PMACEKPBSA-N 1 0 435.613 0.768 20 0 ICADRO CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001611293470 1072767959 /nfs/dbraw/zinc/76/79/59/1072767959.db2.gz QTXIBOJPRVMIIL-UXHICEINSA-N 1 0 435.613 0.768 20 0 ICADRO CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001611293471 1072767777 /nfs/dbraw/zinc/76/77/77/1072767777.db2.gz QTXIBOJPRVMIIL-VQTJNVASSA-N 1 0 435.613 0.768 20 0 ICADRO CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001611293472 1072767677 /nfs/dbraw/zinc/76/76/77/1072767677.db2.gz QTXIBOJPRVMIIL-WOJBJXKFSA-N 1 0 435.613 0.768 20 0 ICADRO C[NH2+]C1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CCC1 ZINC001611330326 1072770072 /nfs/dbraw/zinc/77/00/72/1072770072.db2.gz JRCMWEWNODUCNE-UHFFFAOYSA-N 1 0 427.523 0.597 20 0 ICADRO C[NH2+]C1(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc32)CCC1 ZINC001611336270 1072770184 /nfs/dbraw/zinc/77/01/84/1072770184.db2.gz VGVDLASETGKEKJ-UHFFFAOYSA-N 1 0 434.518 0.833 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[NH+]1CCSCC1 ZINC001611338417 1072770546 /nfs/dbraw/zinc/77/05/46/1072770546.db2.gz VUWPUFUPRKMIDD-CYBMUJFWSA-N 1 0 435.554 0.755 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[NH+]1CCSCC1 ZINC001611338418 1072770646 /nfs/dbraw/zinc/77/06/46/1072770646.db2.gz VUWPUFUPRKMIDD-ZDUSSCGKSA-N 1 0 435.554 0.755 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001611343757 1072771170 /nfs/dbraw/zinc/77/11/70/1072771170.db2.gz HSAKACUHKDAEIP-CRAIPNDOSA-N 1 0 448.593 0.990 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001611343760 1072771116 /nfs/dbraw/zinc/77/11/16/1072771116.db2.gz HSAKACUHKDAEIP-MAUKXSAKSA-N 1 0 448.593 0.990 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001611343762 1072771148 /nfs/dbraw/zinc/77/11/48/1072771148.db2.gz HSAKACUHKDAEIP-QAPCUYQASA-N 1 0 448.593 0.990 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001611343764 1072771068 /nfs/dbraw/zinc/77/10/68/1072771068.db2.gz HSAKACUHKDAEIP-YJBOKZPZSA-N 1 0 448.593 0.990 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611345449 1072772150 /nfs/dbraw/zinc/77/21/50/1072772150.db2.gz UKVODRKQGWBUME-FGTMMUONSA-N 1 0 449.600 0.815 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611345450 1072772176 /nfs/dbraw/zinc/77/21/76/1072772176.db2.gz UKVODRKQGWBUME-KURKYZTESA-N 1 0 449.600 0.815 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611345451 1072772011 /nfs/dbraw/zinc/77/20/11/1072772011.db2.gz UKVODRKQGWBUME-KZNAEPCWSA-N 1 0 449.600 0.815 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611345452 1072772076 /nfs/dbraw/zinc/77/20/76/1072772076.db2.gz UKVODRKQGWBUME-SQNIBIBYSA-N 1 0 449.600 0.815 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001611345822 1072772216 /nfs/dbraw/zinc/77/22/16/1072772216.db2.gz YHZAXFGQOWGUHJ-CVEARBPZSA-N 1 0 426.587 0.756 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001611345823 1072772772 /nfs/dbraw/zinc/77/27/72/1072772772.db2.gz YHZAXFGQOWGUHJ-HOTGVXAUSA-N 1 0 426.587 0.756 20 0 ICADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001611345824 1072772754 /nfs/dbraw/zinc/77/27/54/1072772754.db2.gz YHZAXFGQOWGUHJ-HZPDHXFCSA-N 1 0 426.587 0.756 20 0 ICADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001611345825 1072772652 /nfs/dbraw/zinc/77/26/52/1072772652.db2.gz YHZAXFGQOWGUHJ-JKSUJKDBSA-N 1 0 426.587 0.756 20 0 ICADRO Cc1sc(S(N)(=O)=O)cc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001611359692 1072773551 /nfs/dbraw/zinc/77/35/51/1072773551.db2.gz AZBBVFYYLTUSDM-UHFFFAOYSA-N 1 0 446.576 0.796 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001611359716 1072773612 /nfs/dbraw/zinc/77/36/12/1072773612.db2.gz BQYNKPCIXOFYHH-KBPBESRZSA-N 1 0 436.456 0.780 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001611359717 1072773699 /nfs/dbraw/zinc/77/36/99/1072773699.db2.gz BQYNKPCIXOFYHH-KGLIPLIRSA-N 1 0 436.456 0.780 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)c1 ZINC001611359718 1072773533 /nfs/dbraw/zinc/77/35/33/1072773533.db2.gz BQYNKPCIXOFYHH-UONOGXRCSA-N 1 0 436.456 0.780 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c1 ZINC001611359719 1072773682 /nfs/dbraw/zinc/77/36/82/1072773682.db2.gz BQYNKPCIXOFYHH-ZIAGYGMSSA-N 1 0 436.456 0.780 20 0 ICADRO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001611359738 1072773658 /nfs/dbraw/zinc/77/36/58/1072773658.db2.gz CGPQGUBCWMLCKV-CJNGLKHVSA-N 1 0 444.554 0.739 20 0 ICADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC001611361063 1072774081 /nfs/dbraw/zinc/77/40/81/1072774081.db2.gz VPIMEJZZOOTNHQ-HNNXBMFYSA-N 1 0 430.527 0.351 20 0 ICADRO C[C@@H](CCn1c(-c2cnccn2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001611387604 1072774727 /nfs/dbraw/zinc/77/47/27/1072774727.db2.gz QDNQQQAHQSPZRZ-INIZCTEOSA-N 1 0 436.586 0.985 20 0 ICADRO C[C@H](CCn1c(-c2cnccn2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001611387607 1072774775 /nfs/dbraw/zinc/77/47/75/1072774775.db2.gz QDNQQQAHQSPZRZ-MRXNPFEDSA-N 1 0 436.586 0.985 20 0 ICADRO CCN1CCN(C(=O)CNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC001611388128 1072775089 /nfs/dbraw/zinc/77/50/89/1072775089.db2.gz BEWSVOGVSROLFS-UHFFFAOYSA-N 1 0 425.537 0.458 20 0 ICADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001611396053 1072775043 /nfs/dbraw/zinc/77/50/43/1072775043.db2.gz UBTKLTDYCQLFGI-BRWVUGGUSA-N 1 0 438.598 0.756 20 0 ICADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001611396054 1072775059 /nfs/dbraw/zinc/77/50/59/1072775059.db2.gz UBTKLTDYCQLFGI-IKGGRYGDSA-N 1 0 438.598 0.756 20 0 ICADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001611396055 1072775718 /nfs/dbraw/zinc/77/57/18/1072775718.db2.gz UBTKLTDYCQLFGI-IXDOHACOSA-N 1 0 438.598 0.756 20 0 ICADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001611396056 1072775753 /nfs/dbraw/zinc/77/57/53/1072775753.db2.gz UBTKLTDYCQLFGI-ZACQAIPSSA-N 1 0 438.598 0.756 20 0 ICADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)c1 ZINC001611411653 1072776197 /nfs/dbraw/zinc/77/61/97/1072776197.db2.gz LGQCLEQSGONORO-UHFFFAOYSA-N 1 0 437.522 0.571 20 0 ICADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccnc2I)CC1=O ZINC001611423916 1072776612 /nfs/dbraw/zinc/77/66/12/1072776612.db2.gz KQGUTSDGCSDVDU-GFCCVEGCSA-N 1 0 446.289 0.595 20 0 ICADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccnc2I)CC1=O ZINC001611423917 1072776725 /nfs/dbraw/zinc/77/67/25/1072776725.db2.gz KQGUTSDGCSDVDU-LBPRGKRZSA-N 1 0 446.289 0.595 20 0 ICADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001611444314 1072777245 /nfs/dbraw/zinc/77/72/45/1072777245.db2.gz MYIPYTOYWPEFCR-UHFFFAOYSA-N 1 0 436.534 0.713 20 0 ICADRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001611444831 1072777197 /nfs/dbraw/zinc/77/71/97/1072777197.db2.gz YOQDVXJCOVJFKH-UHFFFAOYSA-N 1 0 430.553 0.897 20 0 ICADRO CCO[C@H](CNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C[NH+](C)C ZINC001611455373 1072778190 /nfs/dbraw/zinc/77/81/90/1072778190.db2.gz RRBZOJOMKZHLFJ-GOSISDBHSA-N 1 0 427.567 0.966 20 0 ICADRO CCO[C@@H](CNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C[NH+](C)C ZINC001611455374 1072778285 /nfs/dbraw/zinc/77/82/85/1072778285.db2.gz RRBZOJOMKZHLFJ-SFHVURJKSA-N 1 0 427.567 0.966 20 0 ICADRO CCO[C@H](CNC(=O)c1ccc(I)cc1-n1cnnn1)C[NH+](C)C ZINC001611455377 1072778338 /nfs/dbraw/zinc/77/83/38/1072778338.db2.gz RWAIHONJHULECJ-GFCCVEGCSA-N 1 0 444.277 0.963 20 0 ICADRO CCO[C@@H](CNC(=O)c1ccc(I)cc1-n1cnnn1)C[NH+](C)C ZINC001611455378 1072778083 /nfs/dbraw/zinc/77/80/83/1072778083.db2.gz RWAIHONJHULECJ-LBPRGKRZSA-N 1 0 444.277 0.963 20 0 ICADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001611477677 1072779090 /nfs/dbraw/zinc/77/90/90/1072779090.db2.gz FAWDPKZJMCVDGD-GDBMZVCRSA-N 1 0 446.556 0.231 20 0 ICADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001611477678 1072779320 /nfs/dbraw/zinc/77/93/20/1072779320.db2.gz FAWDPKZJMCVDGD-GOEBONIOSA-N 1 0 446.556 0.231 20 0 ICADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001611477679 1072779122 /nfs/dbraw/zinc/77/91/22/1072779122.db2.gz FAWDPKZJMCVDGD-HOCLYGCPSA-N 1 0 446.556 0.231 20 0 ICADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001611477680 1072779105 /nfs/dbraw/zinc/77/91/05/1072779105.db2.gz FAWDPKZJMCVDGD-ZBFHGGJFSA-N 1 0 446.556 0.231 20 0 ICADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001611480325 1072779204 /nfs/dbraw/zinc/77/92/04/1072779204.db2.gz UHZHMETZBODWFR-HNNXBMFYSA-N 1 0 430.513 0.171 20 0 ICADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001611480326 1072779304 /nfs/dbraw/zinc/77/93/04/1072779304.db2.gz UHZHMETZBODWFR-OAHLLOKOSA-N 1 0 430.513 0.171 20 0 ICADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001611480543 1072779329 /nfs/dbraw/zinc/77/93/29/1072779329.db2.gz WWKBJGUAIQSRSR-KRWDZBQOSA-N 1 0 440.552 0.822 20 0 ICADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001611480547 1072779241 /nfs/dbraw/zinc/77/92/41/1072779241.db2.gz WWKBJGUAIQSRSR-QGZVFWFLSA-N 1 0 440.552 0.822 20 0 ICADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001611481021 1072779256 /nfs/dbraw/zinc/77/92/56/1072779256.db2.gz CWNPWOVMLLJUAR-HNNXBMFYSA-N 1 0 431.518 0.586 20 0 ICADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001611481022 1072779342 /nfs/dbraw/zinc/77/93/42/1072779342.db2.gz CWNPWOVMLLJUAR-OAHLLOKOSA-N 1 0 431.518 0.586 20 0 ICADRO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001611513452 1072781173 /nfs/dbraw/zinc/78/11/73/1072781173.db2.gz BNLTZKMTIYUVFB-INIZCTEOSA-N 1 0 426.514 0.209 20 0 ICADRO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001611513453 1072781055 /nfs/dbraw/zinc/78/10/55/1072781055.db2.gz BNLTZKMTIYUVFB-MRXNPFEDSA-N 1 0 426.514 0.209 20 0 ICADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001611519109 1072782055 /nfs/dbraw/zinc/78/20/55/1072782055.db2.gz XJRFGACQLOTBSX-GOSISDBHSA-N 1 0 442.568 0.271 20 0 ICADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001611519110 1072782024 /nfs/dbraw/zinc/78/20/24/1072782024.db2.gz XJRFGACQLOTBSX-SFHVURJKSA-N 1 0 442.568 0.271 20 0 ICADRO O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001611526806 1072782547 /nfs/dbraw/zinc/78/25/47/1072782547.db2.gz CYYMZGMTVSNYQH-UHFFFAOYSA-N 1 0 443.591 0.736 20 0 ICADRO O=C(CCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1CCN(c2ccccn2)CC1 ZINC001611526837 1072782627 /nfs/dbraw/zinc/78/26/27/1072782627.db2.gz DLLBHYJXAAHDKX-UHFFFAOYSA-N 1 0 429.565 0.864 20 0 ICADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC001611528101 1072782762 /nfs/dbraw/zinc/78/27/62/1072782762.db2.gz OZQKAILQUNZONL-UHFFFAOYSA-N 1 0 437.562 0.911 20 0 ICADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001611528591 1072782710 /nfs/dbraw/zinc/78/27/10/1072782710.db2.gz SJZQTZWSVSDXAE-UHFFFAOYSA-N 1 0 428.537 0.731 20 0 ICADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001611536408 1072782734 /nfs/dbraw/zinc/78/27/34/1072782734.db2.gz RBDXJULOTFDBGO-INIZCTEOSA-N 1 0 431.545 0.203 20 0 ICADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001611536409 1072782532 /nfs/dbraw/zinc/78/25/32/1072782532.db2.gz RBDXJULOTFDBGO-MRXNPFEDSA-N 1 0 431.545 0.203 20 0 ICADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001611541016 1072783202 /nfs/dbraw/zinc/78/32/02/1072783202.db2.gz BLGJEZRYAFPDQL-HNNXBMFYSA-N 1 0 436.524 0.506 20 0 ICADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001611541018 1072783154 /nfs/dbraw/zinc/78/31/54/1072783154.db2.gz BLGJEZRYAFPDQL-OAHLLOKOSA-N 1 0 436.524 0.506 20 0 ICADRO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001611541330 1072783163 /nfs/dbraw/zinc/78/31/63/1072783163.db2.gz DECSPMJZMATZES-AWEZNQCLSA-N 1 0 438.536 0.844 20 0 ICADRO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001611541332 1072783390 /nfs/dbraw/zinc/78/33/90/1072783390.db2.gz DECSPMJZMATZES-CQSZACIVSA-N 1 0 438.536 0.844 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)[NH+](C)C ZINC001611542371 1072783205 /nfs/dbraw/zinc/78/32/05/1072783205.db2.gz MOWCSZRMJSSMNA-CHWSQXEVSA-N 1 0 426.543 0.825 20 0 ICADRO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+](C)C ZINC001611542372 1072783131 /nfs/dbraw/zinc/78/31/31/1072783131.db2.gz MOWCSZRMJSSMNA-OLZOCXBDSA-N 1 0 426.543 0.825 20 0 ICADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)[NH+](C)C ZINC001611542373 1072783300 /nfs/dbraw/zinc/78/33/00/1072783300.db2.gz MOWCSZRMJSSMNA-QWHCGFSZSA-N 1 0 426.543 0.825 20 0 ICADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)[NH+](C)C ZINC001611542374 1072783322 /nfs/dbraw/zinc/78/33/22/1072783322.db2.gz MOWCSZRMJSSMNA-STQMWFEESA-N 1 0 426.543 0.825 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001611551411 1072784930 /nfs/dbraw/zinc/78/49/30/1072784930.db2.gz NMSCIAWNQSULLX-PBHICJAKSA-N 1 0 439.520 0.912 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001611551412 1072785014 /nfs/dbraw/zinc/78/50/14/1072785014.db2.gz NMSCIAWNQSULLX-RHSMWYFYSA-N 1 0 439.520 0.912 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001611551413 1072785104 /nfs/dbraw/zinc/78/51/04/1072785104.db2.gz NMSCIAWNQSULLX-WMLDXEAASA-N 1 0 439.520 0.912 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001611551414 1072785091 /nfs/dbraw/zinc/78/50/91/1072785091.db2.gz NMSCIAWNQSULLX-YOEHRIQHSA-N 1 0 439.520 0.912 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001611552059 1072785121 /nfs/dbraw/zinc/78/51/21/1072785121.db2.gz XFLZEUREEMGMMT-AGIUHOORSA-N 1 0 431.463 0.684 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001611552060 1072784992 /nfs/dbraw/zinc/78/49/92/1072784992.db2.gz XFLZEUREEMGMMT-FRRDWIJNSA-N 1 0 431.463 0.684 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001611552061 1072785113 /nfs/dbraw/zinc/78/51/13/1072785113.db2.gz XFLZEUREEMGMMT-JHJVBQTASA-N 1 0 431.463 0.684 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001611552062 1072785059 /nfs/dbraw/zinc/78/50/59/1072785059.db2.gz XFLZEUREEMGMMT-UPJWGTAASA-N 1 0 431.463 0.684 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)c2)CC1 ZINC001611576924 1072787060 /nfs/dbraw/zinc/78/70/60/1072787060.db2.gz AJCPJFLQHYZTEL-NQIIRXRSSA-N 1 0 434.562 0.563 20 0 ICADRO C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001611577152 1072787302 /nfs/dbraw/zinc/78/73/02/1072787302.db2.gz VRAWUPNDECLWRO-INIZCTEOSA-N 1 0 427.557 0.729 20 0 ICADRO C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001611577153 1072787179 /nfs/dbraw/zinc/78/71/79/1072787179.db2.gz VRAWUPNDECLWRO-MRXNPFEDSA-N 1 0 427.557 0.729 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001611583124 1072787152 /nfs/dbraw/zinc/78/71/52/1072787152.db2.gz FKSBLMFJUVKECK-FGTMMUONSA-N 1 0 440.614 0.289 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001611583126 1072787274 /nfs/dbraw/zinc/78/72/74/1072787274.db2.gz FKSBLMFJUVKECK-KURKYZTESA-N 1 0 440.614 0.289 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001611583128 1072787330 /nfs/dbraw/zinc/78/73/30/1072787330.db2.gz FKSBLMFJUVKECK-KZNAEPCWSA-N 1 0 440.614 0.289 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001611583130 1072787196 /nfs/dbraw/zinc/78/71/96/1072787196.db2.gz FKSBLMFJUVKECK-SQNIBIBYSA-N 1 0 440.614 0.289 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001611583153 1072787141 /nfs/dbraw/zinc/78/71/41/1072787141.db2.gz FQGXNGVSVRGJAU-ARFHVFGLSA-N 1 0 430.575 0.176 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001611583154 1072787174 /nfs/dbraw/zinc/78/71/74/1072787174.db2.gz FQGXNGVSVRGJAU-BZUAXINKSA-N 1 0 430.575 0.176 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001611583155 1072787322 /nfs/dbraw/zinc/78/73/22/1072787322.db2.gz FQGXNGVSVRGJAU-OAGGEKHMSA-N 1 0 430.575 0.176 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001611583156 1072787261 /nfs/dbraw/zinc/78/72/61/1072787261.db2.gz FQGXNGVSVRGJAU-XHSDSOJGSA-N 1 0 430.575 0.176 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001611583440 1072787600 /nfs/dbraw/zinc/78/76/00/1072787600.db2.gz GMSTVLVZFGUADW-GDBMZVCRSA-N 1 0 438.598 0.625 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001611583446 1072787782 /nfs/dbraw/zinc/78/77/82/1072787782.db2.gz GMSTVLVZFGUADW-GOEBONIOSA-N 1 0 438.598 0.625 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001611583448 1072787849 /nfs/dbraw/zinc/78/78/49/1072787849.db2.gz GMSTVLVZFGUADW-HOCLYGCPSA-N 1 0 438.598 0.625 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001611583450 1072787654 /nfs/dbraw/zinc/78/76/54/1072787654.db2.gz GMSTVLVZFGUADW-ZBFHGGJFSA-N 1 0 438.598 0.625 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001611583771 1072787577 /nfs/dbraw/zinc/78/75/77/1072787577.db2.gz IGCKTTGDVVMKNF-DOTOQJQBSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001611583775 1072787717 /nfs/dbraw/zinc/78/77/17/1072787717.db2.gz IGCKTTGDVVMKNF-NVXWUHKLSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001611583777 1072787793 /nfs/dbraw/zinc/78/77/93/1072787793.db2.gz IGCKTTGDVVMKNF-RDJZCZTQSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001611583779 1072787834 /nfs/dbraw/zinc/78/78/34/1072787834.db2.gz IGCKTTGDVVMKNF-WBVHZDCISA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[N@H+](C)C1CC1 ZINC001611584043 1072788248 /nfs/dbraw/zinc/78/82/48/1072788248.db2.gz JXDMWEBVMFLAIB-DOTOQJQBSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[N@H+](C)C1CC1 ZINC001611584045 1072788357 /nfs/dbraw/zinc/78/83/57/1072788357.db2.gz JXDMWEBVMFLAIB-NVXWUHKLSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[N@H+](C)C1CC1 ZINC001611584046 1072788418 /nfs/dbraw/zinc/78/84/18/1072788418.db2.gz JXDMWEBVMFLAIB-RDJZCZTQSA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[N@H+](C)C1CC1 ZINC001611584047 1072788289 /nfs/dbraw/zinc/78/82/89/1072788289.db2.gz JXDMWEBVMFLAIB-WBVHZDCISA-N 1 0 442.586 0.320 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001611584440 1072788334 /nfs/dbraw/zinc/78/83/34/1072788334.db2.gz MJWPLDYGFQJFLJ-CVEARBPZSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001611584442 1072788318 /nfs/dbraw/zinc/78/83/18/1072788318.db2.gz MJWPLDYGFQJFLJ-HOTGVXAUSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001611584444 1072788448 /nfs/dbraw/zinc/78/84/48/1072788448.db2.gz MJWPLDYGFQJFLJ-HZPDHXFCSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001611584445 1072788305 /nfs/dbraw/zinc/78/83/05/1072788305.db2.gz MJWPLDYGFQJFLJ-JKSUJKDBSA-N 1 0 438.598 0.722 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1)[NH+](C)C ZINC001611584707 1072788232 /nfs/dbraw/zinc/78/82/32/1072788232.db2.gz NVUUXXVEBUOVEF-CVEARBPZSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1)[NH+](C)C ZINC001611584708 1072788403 /nfs/dbraw/zinc/78/84/03/1072788403.db2.gz NVUUXXVEBUOVEF-HOTGVXAUSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1)[NH+](C)C ZINC001611584709 1072788276 /nfs/dbraw/zinc/78/82/76/1072788276.db2.gz NVUUXXVEBUOVEF-HZPDHXFCSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1)[NH+](C)C ZINC001611584710 1072788265 /nfs/dbraw/zinc/78/82/65/1072788265.db2.gz NVUUXXVEBUOVEF-JKSUJKDBSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001611585374 1072788381 /nfs/dbraw/zinc/78/83/81/1072788381.db2.gz VISCYUPCLZNSLW-CVEARBPZSA-N 1 0 427.571 0.516 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001611585375 1072788931 /nfs/dbraw/zinc/78/89/31/1072788931.db2.gz VISCYUPCLZNSLW-HOTGVXAUSA-N 1 0 427.571 0.516 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001611585376 1072789022 /nfs/dbraw/zinc/78/90/22/1072789022.db2.gz VISCYUPCLZNSLW-HZPDHXFCSA-N 1 0 427.571 0.516 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001611585377 1072788911 /nfs/dbraw/zinc/78/89/11/1072788911.db2.gz VISCYUPCLZNSLW-JKSUJKDBSA-N 1 0 427.571 0.516 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1)[NH+](C)C ZINC001611585616 1072788895 /nfs/dbraw/zinc/78/88/95/1072788895.db2.gz YUEXVZQFHYWZCT-GDBMZVCRSA-N 1 0 430.575 0.872 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1)[NH+](C)C ZINC001611585617 1072789042 /nfs/dbraw/zinc/78/90/42/1072789042.db2.gz YUEXVZQFHYWZCT-GOEBONIOSA-N 1 0 430.575 0.872 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1)[NH+](C)C ZINC001611585618 1072788811 /nfs/dbraw/zinc/78/88/11/1072788811.db2.gz YUEXVZQFHYWZCT-HOCLYGCPSA-N 1 0 430.575 0.872 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1)[NH+](C)C ZINC001611585619 1072788973 /nfs/dbraw/zinc/78/89/73/1072788973.db2.gz YUEXVZQFHYWZCT-ZBFHGGJFSA-N 1 0 430.575 0.872 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001611585674 1072789051 /nfs/dbraw/zinc/78/90/51/1072789051.db2.gz ZIWIVLOGNTXJQL-BRWVUGGUSA-N 1 0 437.570 0.232 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1)[NH+](C)C ZINC001611585675 1072788870 /nfs/dbraw/zinc/78/88/70/1072788870.db2.gz ZIWIVLOGNTXJQL-IKGGRYGDSA-N 1 0 437.570 0.232 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001611585676 1072788774 /nfs/dbraw/zinc/78/87/74/1072788774.db2.gz ZIWIVLOGNTXJQL-IXDOHACOSA-N 1 0 437.570 0.232 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1)[NH+](C)C ZINC001611585677 1072788990 /nfs/dbraw/zinc/78/89/90/1072788990.db2.gz ZIWIVLOGNTXJQL-ZACQAIPSSA-N 1 0 437.570 0.232 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)NC3CC[NH+](C4CCOCC4)CC3)nc2n(C)c1=O ZINC001611585825 1072788821 /nfs/dbraw/zinc/78/88/21/1072788821.db2.gz FFOANBPGKMIZDM-UHFFFAOYSA-N 1 0 444.536 0.750 20 0 ICADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001611588376 1072788840 /nfs/dbraw/zinc/78/88/40/1072788840.db2.gz POAIINCTDASSPA-UHFFFAOYSA-N 1 0 439.520 0.932 20 0 ICADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+](C)C ZINC001611589517 1072788793 /nfs/dbraw/zinc/78/87/93/1072788793.db2.gz OTYLSSWYCUQZJL-HNNXBMFYSA-N 1 0 447.588 0.283 20 0 ICADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+](C)C ZINC001611589518 1072789011 /nfs/dbraw/zinc/78/90/11/1072789011.db2.gz OTYLSSWYCUQZJL-OAHLLOKOSA-N 1 0 447.588 0.283 20 0 ICADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001611591783 1072789599 /nfs/dbraw/zinc/78/95/99/1072789599.db2.gz UXNTYGSUAVSJCY-IBGZPJMESA-N 1 0 440.596 0.958 20 0 ICADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001611591784 1072789512 /nfs/dbraw/zinc/78/95/12/1072789512.db2.gz UXNTYGSUAVSJCY-LJQANCHMSA-N 1 0 440.596 0.958 20 0 ICADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001611593375 1072789623 /nfs/dbraw/zinc/78/96/23/1072789623.db2.gz JULIHANUAFPDCB-AEFFLSMTSA-N 1 0 435.598 0.980 20 0 ICADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001611593376 1072789523 /nfs/dbraw/zinc/78/95/23/1072789523.db2.gz JULIHANUAFPDCB-FUHWJXTLSA-N 1 0 435.598 0.980 20 0 ICADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001611593377 1072789349 /nfs/dbraw/zinc/78/93/49/1072789349.db2.gz JULIHANUAFPDCB-SJLPKXTDSA-N 1 0 435.598 0.980 20 0 ICADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001611593378 1072789663 /nfs/dbraw/zinc/78/96/63/1072789663.db2.gz JULIHANUAFPDCB-WMZOPIPTSA-N 1 0 435.598 0.980 20 0 ICADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001611593883 1072790014 /nfs/dbraw/zinc/79/00/14/1072790014.db2.gz SLEXPSKUSXVPAH-INIZCTEOSA-N 1 0 433.582 0.828 20 0 ICADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001611593884 1072790111 /nfs/dbraw/zinc/79/01/11/1072790111.db2.gz SLEXPSKUSXVPAH-MRXNPFEDSA-N 1 0 433.582 0.828 20 0 ICADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001611594135 1072789958 /nfs/dbraw/zinc/78/99/58/1072789958.db2.gz YUVKQHJOUCPTHL-KRWDZBQOSA-N 1 0 426.569 0.615 20 0 ICADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001611594136 1072790096 /nfs/dbraw/zinc/79/00/96/1072790096.db2.gz YUVKQHJOUCPTHL-QGZVFWFLSA-N 1 0 426.569 0.615 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+](C)C ZINC001611599773 1072790618 /nfs/dbraw/zinc/79/06/18/1072790618.db2.gz WVXOMYCGSCKUPG-HNNXBMFYSA-N 1 0 441.602 0.116 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+](C)C ZINC001611599774 1072790639 /nfs/dbraw/zinc/79/06/39/1072790639.db2.gz WVXOMYCGSCKUPG-OAHLLOKOSA-N 1 0 441.602 0.116 20 0 ICADRO C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)[N@H+](C)C1CC1 ZINC001611604574 1072790701 /nfs/dbraw/zinc/79/07/01/1072790701.db2.gz BAJTWLXHNRZPCE-BBRMVZONSA-N 1 0 438.558 0.571 20 0 ICADRO C[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)[N@H+](C)C1CC1 ZINC001611604575 1072790799 /nfs/dbraw/zinc/79/07/99/1072790799.db2.gz BAJTWLXHNRZPCE-CJNGLKHVSA-N 1 0 438.558 0.571 20 0 ICADRO C[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)[N@H+](C)C1CC1 ZINC001611604576 1072790706 /nfs/dbraw/zinc/79/07/06/1072790706.db2.gz BAJTWLXHNRZPCE-CZUORRHYSA-N 1 0 438.558 0.571 20 0 ICADRO C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)[N@H+](C)C1CC1 ZINC001611604577 1072790653 /nfs/dbraw/zinc/79/06/53/1072790653.db2.gz BAJTWLXHNRZPCE-XJKSGUPXSA-N 1 0 438.558 0.571 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001611606886 1072791504 /nfs/dbraw/zinc/79/15/04/1072791504.db2.gz JUXMEQNFRYSJMO-DOTOQJQBSA-N 1 0 428.541 0.900 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001611606887 1072791232 /nfs/dbraw/zinc/79/12/32/1072791232.db2.gz JUXMEQNFRYSJMO-NVXWUHKLSA-N 1 0 428.541 0.900 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001611607120 1072791339 /nfs/dbraw/zinc/79/13/39/1072791339.db2.gz NYVMDDUSEXWRLS-CVEARBPZSA-N 1 0 426.587 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001611607121 1072791185 /nfs/dbraw/zinc/79/11/85/1072791185.db2.gz NYVMDDUSEXWRLS-HOTGVXAUSA-N 1 0 426.587 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001611607122 1072791319 /nfs/dbraw/zinc/79/13/19/1072791319.db2.gz NYVMDDUSEXWRLS-HZPDHXFCSA-N 1 0 426.587 0.772 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001611607123 1072791375 /nfs/dbraw/zinc/79/13/75/1072791375.db2.gz NYVMDDUSEXWRLS-JKSUJKDBSA-N 1 0 426.587 0.772 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001611607298 1072791403 /nfs/dbraw/zinc/79/14/03/1072791403.db2.gz RBPLPMRFCGPBBE-DOTOQJQBSA-N 1 0 428.541 0.900 20 0 ICADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001611607299 1072791288 /nfs/dbraw/zinc/79/12/88/1072791288.db2.gz RBPLPMRFCGPBBE-NVXWUHKLSA-N 1 0 428.541 0.900 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001611608702 1072791445 /nfs/dbraw/zinc/79/14/45/1072791445.db2.gz FUPNEGKKNXFYJC-JYJNAYRXSA-N 1 0 441.602 0.322 20 0 ICADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001611608703 1072791244 /nfs/dbraw/zinc/79/12/44/1072791244.db2.gz FUPNEGKKNXFYJC-OAGGEKHMSA-N 1 0 441.602 0.322 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001611608704 1072791297 /nfs/dbraw/zinc/79/12/97/1072791297.db2.gz FUPNEGKKNXFYJC-PMPSAXMXSA-N 1 0 441.602 0.322 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001611608705 1072791435 /nfs/dbraw/zinc/79/14/35/1072791435.db2.gz FUPNEGKKNXFYJC-XHSDSOJGSA-N 1 0 441.602 0.322 20 0 ICADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001611610450 1072791309 /nfs/dbraw/zinc/79/13/09/1072791309.db2.gz AZFLFQYKJSEJNB-INIZCTEOSA-N 1 0 434.570 0.549 20 0 ICADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001611610451 1072791362 /nfs/dbraw/zinc/79/13/62/1072791362.db2.gz AZFLFQYKJSEJNB-MRXNPFEDSA-N 1 0 434.570 0.549 20 0 ICADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)C[NH+]1CCCC1 ZINC001611610586 1072791910 /nfs/dbraw/zinc/79/19/10/1072791910.db2.gz DDMLZBBNPVHVCN-DOTOQJQBSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)C[NH+]1CCCC1 ZINC001611610587 1072792073 /nfs/dbraw/zinc/79/20/73/1072792073.db2.gz DDMLZBBNPVHVCN-NVXWUHKLSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)C[NH+]1CCCC1 ZINC001611610588 1072791778 /nfs/dbraw/zinc/79/17/78/1072791778.db2.gz DDMLZBBNPVHVCN-RDJZCZTQSA-N 1 0 426.587 0.942 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1)C[NH+]1CCCC1 ZINC001611610589 1072792056 /nfs/dbraw/zinc/79/20/56/1072792056.db2.gz DDMLZBBNPVHVCN-WBVHZDCISA-N 1 0 426.587 0.942 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC001611611162 1072791930 /nfs/dbraw/zinc/79/19/30/1072791930.db2.gz MOIONJBHLPRYKG-BZUAXINKSA-N 1 0 426.587 0.612 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC001611611163 1072791825 /nfs/dbraw/zinc/79/18/25/1072791825.db2.gz MOIONJBHLPRYKG-OAGGEKHMSA-N 1 0 426.587 0.612 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC001611611164 1072791803 /nfs/dbraw/zinc/79/18/03/1072791803.db2.gz MOIONJBHLPRYKG-OWCLPIDISA-N 1 0 426.587 0.612 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC001611611165 1072792023 /nfs/dbraw/zinc/79/20/23/1072792023.db2.gz MOIONJBHLPRYKG-PMPSAXMXSA-N 1 0 426.587 0.612 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001611611386 1072792096 /nfs/dbraw/zinc/79/20/96/1072792096.db2.gz QJDNPMKDNCAFHA-CVEARBPZSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001611611387 1072791896 /nfs/dbraw/zinc/79/18/96/1072791896.db2.gz QJDNPMKDNCAFHA-HOTGVXAUSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001611611388 1072791983 /nfs/dbraw/zinc/79/19/83/1072791983.db2.gz QJDNPMKDNCAFHA-HZPDHXFCSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001611611389 1072791848 /nfs/dbraw/zinc/79/18/48/1072791848.db2.gz QJDNPMKDNCAFHA-JKSUJKDBSA-N 1 0 426.587 0.832 20 0 ICADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1)C[NH+]1CCCC1 ZINC001611613506 1072791886 /nfs/dbraw/zinc/79/18/86/1072791886.db2.gz SPRPIDFYNVQHID-GOSISDBHSA-N 1 0 447.584 0.427 20 0 ICADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1)C[NH+]1CCCC1 ZINC001611613507 1072792116 /nfs/dbraw/zinc/79/21/16/1072792116.db2.gz SPRPIDFYNVQHID-SFHVURJKSA-N 1 0 447.584 0.427 20 0 ICADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001611620023 1072793315 /nfs/dbraw/zinc/79/33/15/1072793315.db2.gz ZETXCRFDRDLRDP-GOSISDBHSA-N 1 0 448.593 0.995 20 0 ICADRO 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0.040 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC[NH+]1CCSCC1 ZINC001611674969 1072812289 /nfs/dbraw/zinc/81/22/89/1072812289.db2.gz ADHKZCSHYIXOTD-GJZGRUSLSA-N 1 0 446.643 0.941 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC[NH+]1CCSCC1 ZINC001611674970 1072812260 /nfs/dbraw/zinc/81/22/60/1072812260.db2.gz ADHKZCSHYIXOTD-LSDHHAIUSA-N 1 0 446.643 0.941 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611676472 1072813906 /nfs/dbraw/zinc/81/39/06/1072813906.db2.gz YCIPJTXUTBZXQP-JYJNAYRXSA-N 1 0 428.603 0.827 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611676473 1072813730 /nfs/dbraw/zinc/81/37/30/1072813730.db2.gz YCIPJTXUTBZXQP-OAGGEKHMSA-N 1 0 428.603 0.827 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611676474 1072813776 /nfs/dbraw/zinc/81/37/76/1072813776.db2.gz YCIPJTXUTBZXQP-OWCLPIDISA-N 1 0 428.603 0.827 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611676475 1072813892 /nfs/dbraw/zinc/81/38/92/1072813892.db2.gz YCIPJTXUTBZXQP-XHSDSOJGSA-N 1 0 428.603 0.827 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(=O)NCC1CC1 ZINC001611677684 1072814971 /nfs/dbraw/zinc/81/49/71/1072814971.db2.gz UJTOHISQGCWCRD-DZKIICNBSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC(=O)NCC1CC1 ZINC001611677685 1072815127 /nfs/dbraw/zinc/81/51/27/1072815127.db2.gz UJTOHISQGCWCRD-IJEWVQPXSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(=O)NCC1CC1 ZINC001611677686 1072815197 /nfs/dbraw/zinc/81/51/97/1072815197.db2.gz UJTOHISQGCWCRD-OFQRWUPVSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC(=O)NCC1CC1 ZINC001611677687 1072815066 /nfs/dbraw/zinc/81/50/66/1072815066.db2.gz UJTOHISQGCWCRD-YCPHGPKFSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCNC(=O)C1CC1 ZINC001611677762 1072815209 /nfs/dbraw/zinc/81/52/09/1072815209.db2.gz VNLLLEAVDKUJTA-DZKIICNBSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCNC(=O)C1CC1 ZINC001611677763 1072815046 /nfs/dbraw/zinc/81/50/46/1072815046.db2.gz VNLLLEAVDKUJTA-IJEWVQPXSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCNC(=O)C1CC1 ZINC001611677764 1072815083 /nfs/dbraw/zinc/81/50/83/1072815083.db2.gz VNLLLEAVDKUJTA-OFQRWUPVSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCNC(=O)C1CC1 ZINC001611677765 1072815182 /nfs/dbraw/zinc/81/51/82/1072815182.db2.gz VNLLLEAVDKUJTA-YCPHGPKFSA-N 1 0 439.586 0.087 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677914 1072815140 /nfs/dbraw/zinc/81/51/40/1072815140.db2.gz XQCYAFFQEPIFJX-BPKGMFCQSA-N 1 0 442.586 0.101 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677915 1072814934 /nfs/dbraw/zinc/81/49/34/1072814934.db2.gz XQCYAFFQEPIFJX-JSRQGNBESA-N 1 0 442.586 0.101 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677916 1072815006 /nfs/dbraw/zinc/81/50/06/1072815006.db2.gz XQCYAFFQEPIFJX-QUSNUVHPSA-N 1 0 442.586 0.101 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677917 1072815227 /nfs/dbraw/zinc/81/52/27/1072815227.db2.gz XQCYAFFQEPIFJX-ZOFXXKQRSA-N 1 0 442.586 0.101 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001611678302 1072815558 /nfs/dbraw/zinc/81/55/58/1072815558.db2.gz DWBYKUDOEWQEJJ-BEFAXECRSA-N 1 0 443.618 0.709 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001611678303 1072815695 /nfs/dbraw/zinc/81/56/95/1072815695.db2.gz DWBYKUDOEWQEJJ-DNVCBOLYSA-N 1 0 443.618 0.709 20 0 ICADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001611678304 1072815684 /nfs/dbraw/zinc/81/56/84/1072815684.db2.gz DWBYKUDOEWQEJJ-HNAYVOBHSA-N 1 0 443.618 0.709 20 0 ICADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001611678305 1072815599 /nfs/dbraw/zinc/81/55/99/1072815599.db2.gz DWBYKUDOEWQEJJ-KXBFYZLASA-N 1 0 443.618 0.709 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCC[NH+]1CCCC1 ZINC001611679142 1072816261 /nfs/dbraw/zinc/81/62/61/1072816261.db2.gz SCGQPWWMHPKKHG-KBXCAEBGSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCC[NH+]1CCCC1 ZINC001611679143 1072816091 /nfs/dbraw/zinc/81/60/91/1072816091.db2.gz SCGQPWWMHPKKHG-KDOFPFPSSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCC[NH+]1CCCC1 ZINC001611679144 1072816057 /nfs/dbraw/zinc/81/60/57/1072816057.db2.gz SCGQPWWMHPKKHG-KSSFIOAISA-N 1 0 427.575 0.076 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCC[NH+]1CCCC1 ZINC001611679145 1072816303 /nfs/dbraw/zinc/81/63/03/1072816303.db2.gz SCGQPWWMHPKKHG-RDTXWAMCSA-N 1 0 427.575 0.076 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611681559 1072817350 /nfs/dbraw/zinc/81/73/50/1072817350.db2.gz RKLRCALPFZRLJP-LUKYLMHMSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611681560 1072817524 /nfs/dbraw/zinc/81/75/24/1072817524.db2.gz RKLRCALPFZRLJP-MWDXBVQZSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611681561 1072817396 /nfs/dbraw/zinc/81/73/96/1072817396.db2.gz RKLRCALPFZRLJP-NXOAAHMSSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611681562 1072817450 /nfs/dbraw/zinc/81/74/50/1072817450.db2.gz RKLRCALPFZRLJP-QAETUUGQSA-N 1 0 428.603 0.970 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001611684257 1072818166 /nfs/dbraw/zinc/81/81/66/1072818166.db2.gz IZHMKNBVVYETDI-CVEARBPZSA-N 1 0 438.602 0.952 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001611684258 1072817931 /nfs/dbraw/zinc/81/79/31/1072817931.db2.gz IZHMKNBVVYETDI-HOTGVXAUSA-N 1 0 438.602 0.952 20 0 ICADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001611684259 1072818130 /nfs/dbraw/zinc/81/81/30/1072818130.db2.gz IZHMKNBVVYETDI-HZPDHXFCSA-N 1 0 438.602 0.952 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001611684260 1072817946 /nfs/dbraw/zinc/81/79/46/1072817946.db2.gz IZHMKNBVVYETDI-JKSUJKDBSA-N 1 0 438.602 0.952 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[NH+]1CCCC1 ZINC001611684667 1072818512 /nfs/dbraw/zinc/81/85/12/1072818512.db2.gz PDYLZJAIDYMYBL-HNNXBMFYSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[NH+]1CCCC1 ZINC001611684668 1072818822 /nfs/dbraw/zinc/81/88/22/1072818822.db2.gz PDYLZJAIDYMYBL-OAHLLOKOSA-N 1 0 441.602 0.466 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)nc2n(C)c1=O ZINC001611685798 1072819350 /nfs/dbraw/zinc/81/93/50/1072819350.db2.gz QNAHNZIJPURTGH-CABCVRRESA-N 1 0 430.509 0.048 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)nc2n(C)c1=O ZINC001611685799 1072819090 /nfs/dbraw/zinc/81/90/90/1072819090.db2.gz QNAHNZIJPURTGH-GJZGRUSLSA-N 1 0 430.509 0.048 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)nc2n(C)c1=O ZINC001611685800 1072819464 /nfs/dbraw/zinc/81/94/64/1072819464.db2.gz QNAHNZIJPURTGH-HUUCEWRRSA-N 1 0 430.509 0.048 20 0 ICADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)nc2n(C)c1=O ZINC001611685801 1072819287 /nfs/dbraw/zinc/81/92/87/1072819287.db2.gz QNAHNZIJPURTGH-LSDHHAIUSA-N 1 0 430.509 0.048 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001611686838 1072820685 /nfs/dbraw/zinc/82/06/85/1072820685.db2.gz NGSRZFWYCYVCPD-KBXCAEBGSA-N 1 0 446.643 0.534 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001611686839 1072821259 /nfs/dbraw/zinc/82/12/59/1072821259.db2.gz NGSRZFWYCYVCPD-KDOFPFPSSA-N 1 0 446.643 0.534 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001611686840 1072821286 /nfs/dbraw/zinc/82/12/86/1072821286.db2.gz NGSRZFWYCYVCPD-KSSFIOAISA-N 1 0 446.643 0.534 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001611686841 1072821201 /nfs/dbraw/zinc/82/12/01/1072821201.db2.gz NGSRZFWYCYVCPD-RDTXWAMCSA-N 1 0 446.643 0.534 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1CC[NH+]1CCCCCC1 ZINC001611687138 1072821180 /nfs/dbraw/zinc/82/11/80/1072821180.db2.gz RWCSXYANZZASQK-INIZCTEOSA-N 1 0 428.603 0.973 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CO)CC2)n1CC[NH+]1CCCCCC1 ZINC001611687139 1072821294 /nfs/dbraw/zinc/82/12/94/1072821294.db2.gz RWCSXYANZZASQK-MRXNPFEDSA-N 1 0 428.603 0.973 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001611688736 1072821788 /nfs/dbraw/zinc/82/17/88/1072821788.db2.gz DVZBORSJZQGHTC-NEPJUHHUSA-N 1 0 442.508 0.732 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](C)[NH+](C)C ZINC001611688737 1072821934 /nfs/dbraw/zinc/82/19/34/1072821934.db2.gz DVZBORSJZQGHTC-NWDGAFQWSA-N 1 0 442.508 0.732 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](C)[NH+](C)C ZINC001611688738 1072821774 /nfs/dbraw/zinc/82/17/74/1072821774.db2.gz DVZBORSJZQGHTC-RYUDHWBXSA-N 1 0 442.508 0.732 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](C)[NH+](C)C ZINC001611688739 1072821863 /nfs/dbraw/zinc/82/18/63/1072821863.db2.gz DVZBORSJZQGHTC-VXGBXAGGSA-N 1 0 442.508 0.732 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[NH+]1CCCC1 ZINC001611690328 1072823440 /nfs/dbraw/zinc/82/34/40/1072823440.db2.gz HIQRHCYKSTYBKU-HNNXBMFYSA-N 1 0 439.586 0.091 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[NH+]1CCCC1 ZINC001611690329 1072823290 /nfs/dbraw/zinc/82/32/90/1072823290.db2.gz HIQRHCYKSTYBKU-OAHLLOKOSA-N 1 0 439.586 0.091 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001611691592 1072824758 /nfs/dbraw/zinc/82/47/58/1072824758.db2.gz BRMIDKWCZWXKMB-DOXZYTNZSA-N 1 0 439.586 0.089 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001611691593 1072824993 /nfs/dbraw/zinc/82/49/93/1072824993.db2.gz BRMIDKWCZWXKMB-VCBZYWHSSA-N 1 0 439.586 0.089 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001611691594 1072824923 /nfs/dbraw/zinc/82/49/23/1072824923.db2.gz BRMIDKWCZWXKMB-YZVOILCLSA-N 1 0 439.586 0.089 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001611691595 1072824783 /nfs/dbraw/zinc/82/47/83/1072824783.db2.gz BRMIDKWCZWXKMB-ZRGWGRIASA-N 1 0 439.586 0.089 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001611692124 1072825442 /nfs/dbraw/zinc/82/54/42/1072825442.db2.gz LUNQAZVXSJNSNA-CXAGYDPISA-N 1 0 449.581 0.892 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001611692125 1072825370 /nfs/dbraw/zinc/82/53/70/1072825370.db2.gz LUNQAZVXSJNSNA-DYVFJYSZSA-N 1 0 449.581 0.892 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001611692126 1072825427 /nfs/dbraw/zinc/82/54/27/1072825427.db2.gz LUNQAZVXSJNSNA-GUYCJALGSA-N 1 0 449.581 0.892 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001611692127 1072825482 /nfs/dbraw/zinc/82/54/82/1072825482.db2.gz LUNQAZVXSJNSNA-SUMWQHHRSA-N 1 0 449.581 0.892 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3oncc3C2)n1CC[NH+]1CCSCC1 ZINC001611692296 1072825989 /nfs/dbraw/zinc/82/59/89/1072825989.db2.gz OROYOQBAGWUCDV-CYBMUJFWSA-N 1 0 441.583 0.488 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3oncc3C2)n1CC[NH+]1CCSCC1 ZINC001611692297 1072825903 /nfs/dbraw/zinc/82/59/03/1072825903.db2.gz OROYOQBAGWUCDV-ZDUSSCGKSA-N 1 0 441.583 0.488 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611692306 1072826071 /nfs/dbraw/zinc/82/60/71/1072826071.db2.gz OYDFWLNXLLSAPS-FOIQADDNSA-N 1 0 434.566 0.518 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611692307 1072825955 /nfs/dbraw/zinc/82/59/55/1072825955.db2.gz OYDFWLNXLLSAPS-MGPUTAFESA-N 1 0 434.566 0.518 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611692308 1072826008 /nfs/dbraw/zinc/82/60/08/1072826008.db2.gz OYDFWLNXLLSAPS-QRWLVFNGSA-N 1 0 434.566 0.518 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611692309 1072825895 /nfs/dbraw/zinc/82/58/95/1072825895.db2.gz OYDFWLNXLLSAPS-YWZLYKJASA-N 1 0 434.566 0.518 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCC1 ZINC001611692494 1072826063 /nfs/dbraw/zinc/82/60/63/1072826063.db2.gz SFJSGMSIPQVEKN-KBXCAEBGSA-N 1 0 439.586 0.089 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCC1 ZINC001611692495 1072825942 /nfs/dbraw/zinc/82/59/42/1072825942.db2.gz SFJSGMSIPQVEKN-KDOFPFPSSA-N 1 0 439.586 0.089 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCC1 ZINC001611692496 1072825919 /nfs/dbraw/zinc/82/59/19/1072825919.db2.gz SFJSGMSIPQVEKN-KSSFIOAISA-N 1 0 439.586 0.089 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCC1 ZINC001611692497 1072825981 /nfs/dbraw/zinc/82/59/81/1072825981.db2.gz SFJSGMSIPQVEKN-RDTXWAMCSA-N 1 0 439.586 0.089 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001611692850 1072826960 /nfs/dbraw/zinc/82/69/60/1072826960.db2.gz ZPUJRGUVCJMVGW-AWEZNQCLSA-N 1 0 437.570 0.892 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001611692851 1072827063 /nfs/dbraw/zinc/82/70/63/1072827063.db2.gz ZPUJRGUVCJMVGW-CQSZACIVSA-N 1 0 437.570 0.892 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001611692882 1072826878 /nfs/dbraw/zinc/82/68/78/1072826878.db2.gz ZXXWGKFTGDIKJN-BEFAXECRSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001611692883 1072827011 /nfs/dbraw/zinc/82/70/11/1072827011.db2.gz ZXXWGKFTGDIKJN-DNVCBOLYSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001611692884 1072827036 /nfs/dbraw/zinc/82/70/36/1072827036.db2.gz ZXXWGKFTGDIKJN-HNAYVOBHSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001611692885 1072826827 /nfs/dbraw/zinc/82/68/27/1072826827.db2.gz ZXXWGKFTGDIKJN-KXBFYZLASA-N 1 0 441.602 0.335 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001611694872 1072828557 /nfs/dbraw/zinc/82/85/57/1072828557.db2.gz UHMMTWFITPXZGV-KKUMJFAQSA-N 1 0 440.526 0.264 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001611694873 1072828329 /nfs/dbraw/zinc/82/83/29/1072828329.db2.gz UHMMTWFITPXZGV-RRFJBIMHSA-N 1 0 440.526 0.264 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001611694874 1072828425 /nfs/dbraw/zinc/82/84/25/1072828425.db2.gz UHMMTWFITPXZGV-SOUVJXGZSA-N 1 0 440.526 0.264 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001611694875 1072828521 /nfs/dbraw/zinc/82/85/21/1072828521.db2.gz UHMMTWFITPXZGV-ZNMIVQPWSA-N 1 0 440.526 0.264 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611695304 1072829283 /nfs/dbraw/zinc/82/92/83/1072829283.db2.gz ZYFHTDVCAXLXDP-AHIWAGSCSA-N 1 0 436.529 0.436 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611695305 1072829441 /nfs/dbraw/zinc/82/94/41/1072829441.db2.gz ZYFHTDVCAXLXDP-DCGLDWPTSA-N 1 0 436.529 0.436 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611695306 1072829502 /nfs/dbraw/zinc/82/95/02/1072829502.db2.gz ZYFHTDVCAXLXDP-GDZNZVCISA-N 1 0 436.529 0.436 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611695307 1072829351 /nfs/dbraw/zinc/82/93/51/1072829351.db2.gz ZYFHTDVCAXLXDP-OGHNNQOOSA-N 1 0 436.529 0.436 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001611697012 1072829725 /nfs/dbraw/zinc/82/97/25/1072829725.db2.gz PAPFPVHIOVQDLJ-CABCVRRESA-N 1 0 429.591 0.320 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001611697013 1072829945 /nfs/dbraw/zinc/82/99/45/1072829945.db2.gz PAPFPVHIOVQDLJ-GJZGRUSLSA-N 1 0 429.591 0.320 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001611697014 1072829896 /nfs/dbraw/zinc/82/98/96/1072829896.db2.gz PAPFPVHIOVQDLJ-HUUCEWRRSA-N 1 0 429.591 0.320 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001611697015 1072829771 /nfs/dbraw/zinc/82/97/71/1072829771.db2.gz PAPFPVHIOVQDLJ-LSDHHAIUSA-N 1 0 429.591 0.320 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001611697058 1072830548 /nfs/dbraw/zinc/83/05/48/1072830548.db2.gz PLTCGOFWLGGBOF-ILXRZTDVSA-N 1 0 425.563 0.271 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001611697059 1072830440 /nfs/dbraw/zinc/83/04/40/1072830440.db2.gz PLTCGOFWLGGBOF-KKUMJFAQSA-N 1 0 425.563 0.271 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001611697060 1072830560 /nfs/dbraw/zinc/83/05/60/1072830560.db2.gz PLTCGOFWLGGBOF-QLFBSQMISA-N 1 0 425.563 0.271 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001611697061 1072830458 /nfs/dbraw/zinc/83/04/58/1072830458.db2.gz PLTCGOFWLGGBOF-SOUVJXGZSA-N 1 0 425.563 0.271 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001611697308 1072830316 /nfs/dbraw/zinc/83/03/16/1072830316.db2.gz SVOJLBGXWOZSKY-CVEARBPZSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001611697309 1072830477 /nfs/dbraw/zinc/83/04/77/1072830477.db2.gz SVOJLBGXWOZSKY-HOTGVXAUSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001611697310 1072830525 /nfs/dbraw/zinc/83/05/25/1072830525.db2.gz SVOJLBGXWOZSKY-HZPDHXFCSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001611697311 1072830296 /nfs/dbraw/zinc/83/02/96/1072830296.db2.gz SVOJLBGXWOZSKY-JKSUJKDBSA-N 1 0 441.602 0.466 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001611698364 1072831229 /nfs/dbraw/zinc/83/12/29/1072831229.db2.gz IMACFMZQWLOFKX-HZSPNIEDSA-N 1 0 425.563 0.308 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001611698365 1072831351 /nfs/dbraw/zinc/83/13/51/1072831351.db2.gz IMACFMZQWLOFKX-IHRRRGAJSA-N 1 0 425.563 0.308 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001611698366 1072831424 /nfs/dbraw/zinc/83/14/24/1072831424.db2.gz IMACFMZQWLOFKX-MELADBBJSA-N 1 0 425.563 0.308 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001611698367 1072831314 /nfs/dbraw/zinc/83/13/14/1072831314.db2.gz IMACFMZQWLOFKX-RDBSUJKOSA-N 1 0 425.563 0.308 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001611701229 1072831681 /nfs/dbraw/zinc/83/16/81/1072831681.db2.gz RAULEHDPRNGCJZ-CVEARBPZSA-N 1 0 444.602 0.614 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001611701230 1072831640 /nfs/dbraw/zinc/83/16/40/1072831640.db2.gz RAULEHDPRNGCJZ-HOTGVXAUSA-N 1 0 444.602 0.614 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001611701475 1072831850 /nfs/dbraw/zinc/83/18/50/1072831850.db2.gz UVXSOQRKWJMSSB-BEFAXECRSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001611701476 1072831906 /nfs/dbraw/zinc/83/19/06/1072831906.db2.gz UVXSOQRKWJMSSB-DNVCBOLYSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001611701477 1072831819 /nfs/dbraw/zinc/83/18/19/1072831819.db2.gz UVXSOQRKWJMSSB-HNAYVOBHSA-N 1 0 441.602 0.287 20 0 ICADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001611701478 1072831882 /nfs/dbraw/zinc/83/18/82/1072831882.db2.gz UVXSOQRKWJMSSB-KXBFYZLASA-N 1 0 441.602 0.287 20 0 ICADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001611701979 1072832184 /nfs/dbraw/zinc/83/21/84/1072832184.db2.gz KDTWWVWJORFCHR-HRAATJIYSA-N 1 0 447.561 0.974 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC1CC1 ZINC001611703273 1072832725 /nfs/dbraw/zinc/83/27/25/1072832725.db2.gz RMKHBLPWZRNBGI-DOTOQJQBSA-N 1 0 426.587 0.847 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC1CC1 ZINC001611703274 1072832836 /nfs/dbraw/zinc/83/28/36/1072832836.db2.gz RMKHBLPWZRNBGI-NVXWUHKLSA-N 1 0 426.587 0.847 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001611704391 1072832889 /nfs/dbraw/zinc/83/28/89/1072832889.db2.gz ACXHFSXOIRCYOY-KBPBESRZSA-N 1 0 436.529 0.843 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001611704392 1072832967 /nfs/dbraw/zinc/83/29/67/1072832967.db2.gz ACXHFSXOIRCYOY-KGLIPLIRSA-N 1 0 436.529 0.843 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001611704393 1072832750 /nfs/dbraw/zinc/83/27/50/1072832750.db2.gz ACXHFSXOIRCYOY-UONOGXRCSA-N 1 0 436.529 0.843 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001611704394 1072832799 /nfs/dbraw/zinc/83/27/99/1072832799.db2.gz ACXHFSXOIRCYOY-ZIAGYGMSSA-N 1 0 436.529 0.843 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001611704703 1072833352 /nfs/dbraw/zinc/83/33/52/1072833352.db2.gz GYVVCNLNDXGMDJ-CVEARBPZSA-N 1 0 441.602 0.431 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001611704704 1072833295 /nfs/dbraw/zinc/83/32/95/1072833295.db2.gz GYVVCNLNDXGMDJ-HOTGVXAUSA-N 1 0 441.602 0.431 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001611704705 1072833225 /nfs/dbraw/zinc/83/32/25/1072833225.db2.gz GYVVCNLNDXGMDJ-HZPDHXFCSA-N 1 0 441.602 0.431 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001611704706 1072833276 /nfs/dbraw/zinc/83/32/76/1072833276.db2.gz GYVVCNLNDXGMDJ-JKSUJKDBSA-N 1 0 441.602 0.431 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2COCCO2)CC1 ZINC001611705341 1072833701 /nfs/dbraw/zinc/83/37/01/1072833701.db2.gz QVJXBMFEIFYWTE-CVEARBPZSA-N 1 0 430.575 0.224 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2COCCO2)CC1 ZINC001611705342 1072833639 /nfs/dbraw/zinc/83/36/39/1072833639.db2.gz QVJXBMFEIFYWTE-HOTGVXAUSA-N 1 0 430.575 0.224 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2COCCO2)CC1 ZINC001611705343 1072833857 /nfs/dbraw/zinc/83/38/57/1072833857.db2.gz QVJXBMFEIFYWTE-HZPDHXFCSA-N 1 0 430.575 0.224 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2COCCO2)CC1 ZINC001611705344 1072834281 /nfs/dbraw/zinc/83/42/81/1072834281.db2.gz QVJXBMFEIFYWTE-JKSUJKDBSA-N 1 0 430.575 0.224 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 ZINC001611705615 1072834528 /nfs/dbraw/zinc/83/45/28/1072834528.db2.gz WHIZBHYHAMQQRO-PBHICJAKSA-N 1 0 432.616 0.287 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 ZINC001611705616 1072834407 /nfs/dbraw/zinc/83/44/07/1072834407.db2.gz WHIZBHYHAMQQRO-RHSMWYFYSA-N 1 0 432.616 0.287 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 ZINC001611705617 1072834165 /nfs/dbraw/zinc/83/41/65/1072834165.db2.gz WHIZBHYHAMQQRO-WMLDXEAASA-N 1 0 432.616 0.287 20 0 ICADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 ZINC001611705618 1072834457 /nfs/dbraw/zinc/83/44/57/1072834457.db2.gz WHIZBHYHAMQQRO-YOEHRIQHSA-N 1 0 432.616 0.287 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001611705774 1072834258 /nfs/dbraw/zinc/83/42/58/1072834258.db2.gz YUQQBJPIFSOSII-AWEZNQCLSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001611705775 1072834364 /nfs/dbraw/zinc/83/43/64/1072834364.db2.gz YUQQBJPIFSOSII-CQSZACIVSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccco1 ZINC001611706709 1072834832 /nfs/dbraw/zinc/83/48/32/1072834832.db2.gz DLHZTVCIEAYUBT-HNNXBMFYSA-N 1 0 438.554 0.831 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccco1 ZINC001611706710 1072834770 /nfs/dbraw/zinc/83/47/70/1072834770.db2.gz DLHZTVCIEAYUBT-OAHLLOKOSA-N 1 0 438.554 0.831 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1(O)CCOCC1 ZINC001611706715 1072835020 /nfs/dbraw/zinc/83/50/20/1072835020.db2.gz DNLKTFALTPDSDJ-HNNXBMFYSA-N 1 0 442.586 0.104 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1(O)CCOCC1 ZINC001611706716 1072834931 /nfs/dbraw/zinc/83/49/31/1072834931.db2.gz DNLKTFALTPDSDJ-OAHLLOKOSA-N 1 0 442.586 0.104 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCC(=O)N(C)C ZINC001611707017 1072835534 /nfs/dbraw/zinc/83/55/34/1072835534.db2.gz JWKHXMGNNNWQPS-AWEZNQCLSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCC(=O)N(C)C ZINC001611707018 1072835432 /nfs/dbraw/zinc/83/54/32/1072835432.db2.gz JWKHXMGNNNWQPS-CQSZACIVSA-N 1 0 427.575 0.041 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1CC[NH+]1CCCC1 ZINC001611707081 1072835422 /nfs/dbraw/zinc/83/54/22/1072835422.db2.gz LECZHGUHQLTUFH-INIZCTEOSA-N 1 0 449.585 0.101 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnccn3)CC2)n1CC[NH+]1CCCC1 ZINC001611707082 1072835282 /nfs/dbraw/zinc/83/52/82/1072835282.db2.gz LECZHGUHQLTUFH-MRXNPFEDSA-N 1 0 449.585 0.101 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001611707105 1072835355 /nfs/dbraw/zinc/83/53/55/1072835355.db2.gz LSMMMONAPQZLEH-DOTOQJQBSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001611707106 1072835459 /nfs/dbraw/zinc/83/54/59/1072835459.db2.gz LSMMMONAPQZLEH-NVXWUHKLSA-N 1 0 442.586 0.368 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC[NH+]1CCCC1 ZINC001611707287 1072835884 /nfs/dbraw/zinc/83/58/84/1072835884.db2.gz OINOICIYDXXNII-INIZCTEOSA-N 1 0 449.585 0.101 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC[NH+]1CCCC1 ZINC001611707288 1072836058 /nfs/dbraw/zinc/83/60/58/1072836058.db2.gz OINOICIYDXXNII-MRXNPFEDSA-N 1 0 449.585 0.101 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001611707653 1072835934 /nfs/dbraw/zinc/83/59/34/1072835934.db2.gz VEMOALNBIWRHGN-DZGCQCFKSA-N 1 0 448.540 0.987 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001611707654 1072836034 /nfs/dbraw/zinc/83/60/34/1072836034.db2.gz VEMOALNBIWRHGN-HIFRSBDPSA-N 1 0 448.540 0.987 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001611707655 1072836103 /nfs/dbraw/zinc/83/61/03/1072836103.db2.gz VEMOALNBIWRHGN-UKRRQHHQSA-N 1 0 448.540 0.987 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001611707656 1072836069 /nfs/dbraw/zinc/83/60/69/1072836069.db2.gz VEMOALNBIWRHGN-ZFWWWQNUSA-N 1 0 448.540 0.987 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001611707671 1072835829 /nfs/dbraw/zinc/83/58/29/1072835829.db2.gz VUQQXCCORSGESS-CVEARBPZSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001611707672 1072835975 /nfs/dbraw/zinc/83/59/75/1072835975.db2.gz VUQQXCCORSGESS-HOTGVXAUSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CCCOC1 ZINC001611707673 1072836596 /nfs/dbraw/zinc/83/65/96/1072836596.db2.gz VUQQXCCORSGESS-HZPDHXFCSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CCCOC1 ZINC001611707674 1072836557 /nfs/dbraw/zinc/83/65/57/1072836557.db2.gz VUQQXCCORSGESS-JKSUJKDBSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001611708587 1072836677 /nfs/dbraw/zinc/83/66/77/1072836677.db2.gz BSXUQCSYGVPQBL-CABCVRRESA-N 1 0 449.572 0.760 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001611708588 1072836482 /nfs/dbraw/zinc/83/64/82/1072836482.db2.gz BSXUQCSYGVPQBL-GJZGRUSLSA-N 1 0 449.572 0.760 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001611708589 1072836659 /nfs/dbraw/zinc/83/66/59/1072836659.db2.gz BSXUQCSYGVPQBL-HUUCEWRRSA-N 1 0 449.572 0.760 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001611708590 1072836640 /nfs/dbraw/zinc/83/66/40/1072836640.db2.gz BSXUQCSYGVPQBL-LSDHHAIUSA-N 1 0 449.572 0.760 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1CCOCC1 ZINC001611708595 1072836580 /nfs/dbraw/zinc/83/65/80/1072836580.db2.gz CBZMSACJKDJBLS-HNNXBMFYSA-N 1 0 426.587 0.847 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1CCOCC1 ZINC001611708596 1072836515 /nfs/dbraw/zinc/83/65/15/1072836515.db2.gz CBZMSACJKDJBLS-OAHLLOKOSA-N 1 0 426.587 0.847 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001611709001 1072836619 /nfs/dbraw/zinc/83/66/19/1072836619.db2.gz JZSKPSBTYRVISI-BPUTZDHNSA-N 1 0 439.586 0.040 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001611709002 1072836699 /nfs/dbraw/zinc/83/66/99/1072836699.db2.gz JZSKPSBTYRVISI-CWRNSKLLSA-N 1 0 439.586 0.040 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001611709003 1072836613 /nfs/dbraw/zinc/83/66/13/1072836613.db2.gz JZSKPSBTYRVISI-IMJJTQAJSA-N 1 0 439.586 0.040 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001611709004 1072836547 /nfs/dbraw/zinc/83/65/47/1072836547.db2.gz JZSKPSBTYRVISI-NUEKZKHPSA-N 1 0 439.586 0.040 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1cccc(CO)c1 ZINC001611709153 1072836708 /nfs/dbraw/zinc/83/67/08/1072836708.db2.gz LZTCITVTRIJSMF-INIZCTEOSA-N 1 0 448.593 0.961 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1cccc(CO)c1 ZINC001611709154 1072836994 /nfs/dbraw/zinc/83/69/94/1072836994.db2.gz LZTCITVTRIJSMF-MRXNPFEDSA-N 1 0 448.593 0.961 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@@H]1COCCO1 ZINC001611709505 1072837216 /nfs/dbraw/zinc/83/72/16/1072837216.db2.gz RWPCWBHODBDYFE-DOTOQJQBSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@@H]1COCCO1 ZINC001611709506 1072837175 /nfs/dbraw/zinc/83/71/75/1072837175.db2.gz RWPCWBHODBDYFE-NVXWUHKLSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@H]1COCCO1 ZINC001611709507 1072837012 /nfs/dbraw/zinc/83/70/12/1072837012.db2.gz RWPCWBHODBDYFE-RDJZCZTQSA-N 1 0 442.586 0.226 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[C@H]1COCCO1 ZINC001611709508 1072837311 /nfs/dbraw/zinc/83/73/11/1072837311.db2.gz RWPCWBHODBDYFE-WBVHZDCISA-N 1 0 442.586 0.226 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001611709809 1072837723 /nfs/dbraw/zinc/83/77/23/1072837723.db2.gz XZKPKMWAKQDAIC-BFYDXBDKSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001611709810 1072837711 /nfs/dbraw/zinc/83/77/11/1072837711.db2.gz XZKPKMWAKQDAIC-HLLBOEOZSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC1(O)CCCC1 ZINC001611710743 1072838158 /nfs/dbraw/zinc/83/81/58/1072838158.db2.gz DVKONOAGOKDICO-CVEARBPZSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC1(O)CCCC1 ZINC001611710744 1072838253 /nfs/dbraw/zinc/83/82/53/1072838253.db2.gz DVKONOAGOKDICO-HOTGVXAUSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC1(O)CCCC1 ZINC001611710745 1072838374 /nfs/dbraw/zinc/83/83/74/1072838374.db2.gz DVKONOAGOKDICO-HZPDHXFCSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC1(O)CCCC1 ZINC001611710746 1072838304 /nfs/dbraw/zinc/83/83/04/1072838304.db2.gz DVKONOAGOKDICO-JKSUJKDBSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@]1(O)CCSC1 ZINC001611711131 1072839097 /nfs/dbraw/zinc/83/90/97/1072839097.db2.gz KKGRPISPFBZLGJ-DAYGRLMNSA-N 1 0 444.627 0.431 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@]1(O)CCSC1 ZINC001611711132 1072838977 /nfs/dbraw/zinc/83/89/77/1072838977.db2.gz KKGRPISPFBZLGJ-HDMKZQKVSA-N 1 0 444.627 0.431 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@]1(O)CCSC1 ZINC001611711133 1072838751 /nfs/dbraw/zinc/83/87/51/1072838751.db2.gz KKGRPISPFBZLGJ-MPGHIAIKSA-N 1 0 444.627 0.431 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@]1(O)CCSC1 ZINC001611711134 1072838855 /nfs/dbraw/zinc/83/88/55/1072838855.db2.gz KKGRPISPFBZLGJ-RLFYNMQTSA-N 1 0 444.627 0.431 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC1(O)CCC1 ZINC001611711147 1072838881 /nfs/dbraw/zinc/83/88/81/1072838881.db2.gz KODBKBOHDGPHBT-CVEARBPZSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC1(O)CCC1 ZINC001611711148 1072839653 /nfs/dbraw/zinc/83/96/53/1072839653.db2.gz KODBKBOHDGPHBT-HOTGVXAUSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC1(O)CCC1 ZINC001611711149 1072839571 /nfs/dbraw/zinc/83/95/71/1072839571.db2.gz KODBKBOHDGPHBT-HZPDHXFCSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC1(O)CCC1 ZINC001611711150 1072839525 /nfs/dbraw/zinc/83/95/25/1072839525.db2.gz KODBKBOHDGPHBT-JKSUJKDBSA-N 1 0 426.587 0.868 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001611711167 1072839613 /nfs/dbraw/zinc/83/96/13/1072839613.db2.gz KSRMJYWUSJDDSR-GDBMZVCRSA-N 1 0 439.586 0.232 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001611711168 1072839510 /nfs/dbraw/zinc/83/95/10/1072839510.db2.gz KSRMJYWUSJDDSR-GOEBONIOSA-N 1 0 439.586 0.232 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001611711169 1072839699 /nfs/dbraw/zinc/83/96/99/1072839699.db2.gz KSRMJYWUSJDDSR-HOCLYGCPSA-N 1 0 439.586 0.232 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001611711170 1072839638 /nfs/dbraw/zinc/83/96/38/1072839638.db2.gz KSRMJYWUSJDDSR-ZBFHGGJFSA-N 1 0 439.586 0.232 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC001611711209 1072839745 /nfs/dbraw/zinc/83/97/45/1072839745.db2.gz LFSAMPLYILXYHU-CVEARBPZSA-N 1 0 449.581 0.345 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC001611711210 1072839724 /nfs/dbraw/zinc/83/97/24/1072839724.db2.gz LFSAMPLYILXYHU-HOTGVXAUSA-N 1 0 449.581 0.345 20 0 ICADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC001611711211 1072839491 /nfs/dbraw/zinc/83/94/91/1072839491.db2.gz LFSAMPLYILXYHU-HZPDHXFCSA-N 1 0 449.581 0.345 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001611711212 1072839445 /nfs/dbraw/zinc/83/94/45/1072839445.db2.gz LFSAMPLYILXYHU-JKSUJKDBSA-N 1 0 449.581 0.345 20 0 ICADRO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)[NH+]1CCCC1 ZINC001611711391 1072840215 /nfs/dbraw/zinc/84/02/15/1072840215.db2.gz NFAGQLBDJDYWGC-CVEARBPZSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)[NH+]1CCCC1 ZINC001611711392 1072840146 /nfs/dbraw/zinc/84/01/46/1072840146.db2.gz NFAGQLBDJDYWGC-HOTGVXAUSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)[NH+]1CCCC1 ZINC001611711393 1072840015 /nfs/dbraw/zinc/84/00/15/1072840015.db2.gz NFAGQLBDJDYWGC-HZPDHXFCSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)[NH+]1CCCC1 ZINC001611711394 1072840040 /nfs/dbraw/zinc/84/00/40/1072840040.db2.gz NFAGQLBDJDYWGC-JKSUJKDBSA-N 1 0 441.602 0.335 20 0 ICADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)C(C)C ZINC001611711615 1072841225 /nfs/dbraw/zinc/84/12/25/1072841225.db2.gz QXUURKIGYBCYGT-HNNXBMFYSA-N 1 0 429.591 0.333 20 0 ICADRO CC(C)[NH+](CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)C(C)C ZINC001611711616 1072841273 /nfs/dbraw/zinc/84/12/73/1072841273.db2.gz QXUURKIGYBCYGT-OAHLLOKOSA-N 1 0 429.591 0.333 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001611711769 1072841106 /nfs/dbraw/zinc/84/11/06/1072841106.db2.gz TULLODHXTBBILA-HNNXBMFYSA-N 1 0 441.602 0.337 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001611711770 1072841063 /nfs/dbraw/zinc/84/10/63/1072841063.db2.gz TULLODHXTBBILA-OAHLLOKOSA-N 1 0 441.602 0.337 20 0 ICADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)C(C)C ZINC001611711861 1072841744 /nfs/dbraw/zinc/84/17/44/1072841744.db2.gz UUMOYGXZDVCENB-HNNXBMFYSA-N 1 0 429.591 0.333 20 0 ICADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)C(C)C ZINC001611711862 1072841611 /nfs/dbraw/zinc/84/16/11/1072841611.db2.gz UUMOYGXZDVCENB-OAHLLOKOSA-N 1 0 429.591 0.333 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CC[NH+]1CCCC1 ZINC001611712217 1072842163 /nfs/dbraw/zinc/84/21/63/1072842163.db2.gz ZSWAANSCGXRACL-KBXCAEBGSA-N 1 0 441.558 0.015 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC[NH+]1CCCC1 ZINC001611712218 1072842099 /nfs/dbraw/zinc/84/20/99/1072842099.db2.gz ZSWAANSCGXRACL-KDOFPFPSSA-N 1 0 441.558 0.015 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC[NH+]1CCCC1 ZINC001611712219 1072842190 /nfs/dbraw/zinc/84/21/90/1072842190.db2.gz ZSWAANSCGXRACL-KSSFIOAISA-N 1 0 441.558 0.015 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CC[NH+]1CCCC1 ZINC001611712220 1072842107 /nfs/dbraw/zinc/84/21/07/1072842107.db2.gz ZSWAANSCGXRACL-RDTXWAMCSA-N 1 0 441.558 0.015 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001611714409 1072843223 /nfs/dbraw/zinc/84/32/23/1072843223.db2.gz XDHZQRXLUKECOA-DZKIICNBSA-N 1 0 440.574 0.150 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001611714410 1072843236 /nfs/dbraw/zinc/84/32/36/1072843236.db2.gz XDHZQRXLUKECOA-IJEWVQPXSA-N 1 0 440.574 0.150 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001611714411 1072843018 /nfs/dbraw/zinc/84/30/18/1072843018.db2.gz XDHZQRXLUKECOA-OFQRWUPVSA-N 1 0 440.574 0.150 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001611714412 1072843063 /nfs/dbraw/zinc/84/30/63/1072843063.db2.gz XDHZQRXLUKECOA-YCPHGPKFSA-N 1 0 440.574 0.150 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CCC3)C2)n1CCOCC[NH+](C)C ZINC001611715164 1072843559 /nfs/dbraw/zinc/84/35/59/1072843559.db2.gz AVUYPWGYXCLKFI-INIZCTEOSA-N 1 0 444.602 0.473 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CCC3)C2)n1CCOCC[NH+](C)C ZINC001611715165 1072843708 /nfs/dbraw/zinc/84/37/08/1072843708.db2.gz AVUYPWGYXCLKFI-MRXNPFEDSA-N 1 0 444.602 0.473 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001611715200 1072843466 /nfs/dbraw/zinc/84/34/66/1072843466.db2.gz BFMWXSZRADDDSB-GDBMZVCRSA-N 1 0 444.627 0.474 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001611715201 1072843659 /nfs/dbraw/zinc/84/36/59/1072843659.db2.gz BFMWXSZRADDDSB-GOEBONIOSA-N 1 0 444.627 0.474 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001611715202 1072844226 /nfs/dbraw/zinc/84/42/26/1072844226.db2.gz BFMWXSZRADDDSB-HOCLYGCPSA-N 1 0 444.627 0.474 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001611715203 1072844017 /nfs/dbraw/zinc/84/40/17/1072844017.db2.gz BFMWXSZRADDDSB-ZBFHGGJFSA-N 1 0 444.627 0.474 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001611715204 1072844050 /nfs/dbraw/zinc/84/40/50/1072844050.db2.gz BGHXSRPMMORYBT-HNNXBMFYSA-N 1 0 440.545 0.996 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001611715205 1072844143 /nfs/dbraw/zinc/84/41/43/1072844143.db2.gz BGHXSRPMMORYBT-OAHLLOKOSA-N 1 0 440.545 0.996 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CC[NH+]1CCCC1 ZINC001611715640 1072844641 /nfs/dbraw/zinc/84/46/41/1072844641.db2.gz JNWUUSQCPPWBJT-INIZCTEOSA-N 1 0 442.586 0.370 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CC[NH+]1CCCC1 ZINC001611715641 1072844523 /nfs/dbraw/zinc/84/45/23/1072844523.db2.gz JNWUUSQCPPWBJT-MRXNPFEDSA-N 1 0 442.586 0.370 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001611715732 1072844550 /nfs/dbraw/zinc/84/45/50/1072844550.db2.gz LBOLQYSIUAWLPQ-GDBMZVCRSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001611715733 1072844721 /nfs/dbraw/zinc/84/47/21/1072844721.db2.gz LBOLQYSIUAWLPQ-GOEBONIOSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001611715734 1072844670 /nfs/dbraw/zinc/84/46/70/1072844670.db2.gz LBOLQYSIUAWLPQ-HOCLYGCPSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001611715735 1072844568 /nfs/dbraw/zinc/84/45/68/1072844568.db2.gz LBOLQYSIUAWLPQ-ZBFHGGJFSA-N 1 0 426.587 0.845 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)[N@H+](C)C1CC1 ZINC001611716346 1072845968 /nfs/dbraw/zinc/84/59/68/1072845968.db2.gz USQAWNXMKOLFCY-CABCVRRESA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)[N@H+](C)C1CC1 ZINC001611716347 1072846107 /nfs/dbraw/zinc/84/61/07/1072846107.db2.gz USQAWNXMKOLFCY-GJZGRUSLSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)[N@H+](C)C1CC1 ZINC001611716348 1072845870 /nfs/dbraw/zinc/84/58/70/1072845870.db2.gz USQAWNXMKOLFCY-HUUCEWRRSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001611716349 1072846055 /nfs/dbraw/zinc/84/60/55/1072846055.db2.gz USQAWNXMKOLFCY-LSDHHAIUSA-N 1 0 426.587 0.988 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001611716372 1072846164 /nfs/dbraw/zinc/84/61/64/1072846164.db2.gz VLZNRBXGUTUPEC-HNNXBMFYSA-N 1 0 446.643 0.579 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001611716373 1072845912 /nfs/dbraw/zinc/84/59/12/1072845912.db2.gz VLZNRBXGUTUPEC-OAHLLOKOSA-N 1 0 446.643 0.579 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001611716438 1072846702 /nfs/dbraw/zinc/84/67/02/1072846702.db2.gz WTEYGQPNRBWBTN-BXWFABGCSA-N 1 0 444.602 0.613 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001611716439 1072846466 /nfs/dbraw/zinc/84/64/66/1072846466.db2.gz WTEYGQPNRBWBTN-FCEWJHQRSA-N 1 0 444.602 0.613 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001611716440 1072846580 /nfs/dbraw/zinc/84/65/80/1072846580.db2.gz WTEYGQPNRBWBTN-FRQCXROJSA-N 1 0 444.602 0.613 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001611716441 1072846803 /nfs/dbraw/zinc/84/68/03/1072846803.db2.gz WTEYGQPNRBWBTN-TXPKVOOTSA-N 1 0 444.602 0.613 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001611716524 1072846550 /nfs/dbraw/zinc/84/65/50/1072846550.db2.gz YTUPMPOBLYQDHO-CVEARBPZSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001611716525 1072846825 /nfs/dbraw/zinc/84/68/25/1072846825.db2.gz YTUPMPOBLYQDHO-HOTGVXAUSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001611716526 1072846753 /nfs/dbraw/zinc/84/67/53/1072846753.db2.gz YTUPMPOBLYQDHO-HZPDHXFCSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001611716527 1072846440 /nfs/dbraw/zinc/84/64/40/1072846440.db2.gz YTUPMPOBLYQDHO-JKSUJKDBSA-N 1 0 426.587 0.989 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[NH+]1CCCCCC1 ZINC001611717122 1072847804 /nfs/dbraw/zinc/84/78/04/1072847804.db2.gz JWHHMLCUKQBZPZ-IKGGRYGDSA-N 1 0 428.603 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[NH+]1CCCCCC1 ZINC001611717123 1072847674 /nfs/dbraw/zinc/84/76/74/1072847674.db2.gz JWHHMLCUKQBZPZ-ZACQAIPSSA-N 1 0 428.603 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001611717196 1072847593 /nfs/dbraw/zinc/84/75/93/1072847593.db2.gz LMVJHGXKSSAPFF-AESZEHBQSA-N 1 0 426.587 0.580 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001611717197 1072847888 /nfs/dbraw/zinc/84/78/88/1072847888.db2.gz LMVJHGXKSSAPFF-AIANPOQGSA-N 1 0 426.587 0.580 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001611717198 1072847541 /nfs/dbraw/zinc/84/75/41/1072847541.db2.gz LMVJHGXKSSAPFF-ANQUJSFKSA-N 1 0 426.587 0.580 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001611717199 1072847736 /nfs/dbraw/zinc/84/77/36/1072847736.db2.gz LMVJHGXKSSAPFF-DLTWYDFYSA-N 1 0 426.587 0.580 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[NH+]1CCOCC1 ZINC001611717306 1072847645 /nfs/dbraw/zinc/84/76/45/1072847645.db2.gz NHUODSWNAOGORV-HNNXBMFYSA-N 1 0 432.616 0.554 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[NH+]1CCOCC1 ZINC001611717307 1072847859 /nfs/dbraw/zinc/84/78/59/1072847859.db2.gz NHUODSWNAOGORV-OAHLLOKOSA-N 1 0 432.616 0.554 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCOCC[NH+](C)C ZINC001611717514 1072848163 /nfs/dbraw/zinc/84/81/63/1072848163.db2.gz QLFQGYRSOKFYDO-KKUMJFAQSA-N 1 0 434.632 0.797 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCOCC[NH+](C)C ZINC001611717515 1072848286 /nfs/dbraw/zinc/84/82/86/1072848286.db2.gz QLFQGYRSOKFYDO-RRFJBIMHSA-N 1 0 434.632 0.797 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCOCC[NH+](C)C ZINC001611717516 1072848603 /nfs/dbraw/zinc/84/86/03/1072848603.db2.gz QLFQGYRSOKFYDO-SOUVJXGZSA-N 1 0 434.632 0.797 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCOCC[NH+](C)C ZINC001611717517 1072848692 /nfs/dbraw/zinc/84/86/92/1072848692.db2.gz QLFQGYRSOKFYDO-ZNMIVQPWSA-N 1 0 434.632 0.797 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611718655 1072849391 /nfs/dbraw/zinc/84/93/91/1072849391.db2.gz DBRJPFRKJVPYIM-KBPBESRZSA-N 1 0 426.547 0.212 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611718656 1072849506 /nfs/dbraw/zinc/84/95/06/1072849506.db2.gz DBRJPFRKJVPYIM-KGLIPLIRSA-N 1 0 426.547 0.212 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611718657 1072849702 /nfs/dbraw/zinc/84/97/02/1072849702.db2.gz DBRJPFRKJVPYIM-UONOGXRCSA-N 1 0 426.547 0.212 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611718658 1072849429 /nfs/dbraw/zinc/84/94/29/1072849429.db2.gz DBRJPFRKJVPYIM-ZIAGYGMSSA-N 1 0 426.547 0.212 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001611719157 1072849922 /nfs/dbraw/zinc/84/99/22/1072849922.db2.gz PAGAJPQAYVWVTG-BLLLJJGKSA-N 1 0 428.588 0.803 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001611719158 1072850256 /nfs/dbraw/zinc/85/02/56/1072850256.db2.gz PAGAJPQAYVWVTG-LRDDRELGSA-N 1 0 428.588 0.803 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001611719159 1072850001 /nfs/dbraw/zinc/85/00/01/1072850001.db2.gz PAGAJPQAYVWVTG-MLGOLLRUSA-N 1 0 428.588 0.803 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001611719160 1072850270 /nfs/dbraw/zinc/85/02/70/1072850270.db2.gz PAGAJPQAYVWVTG-WBMJQRKESA-N 1 0 428.588 0.803 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611719397 1072850137 /nfs/dbraw/zinc/85/01/37/1072850137.db2.gz UHJXHNPFXSTQSH-AWEZNQCLSA-N 1 0 439.590 0.391 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611719398 1072850067 /nfs/dbraw/zinc/85/00/67/1072850067.db2.gz UHJXHNPFXSTQSH-CQSZACIVSA-N 1 0 439.590 0.391 20 0 ICADRO C[C@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001611776402 1072852361 /nfs/dbraw/zinc/85/23/61/1072852361.db2.gz HYOZIOKYKUBCKC-AVRDEDQJSA-N 1 0 427.553 0.812 20 0 ICADRO C[C@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001611776403 1072853071 /nfs/dbraw/zinc/85/30/71/1072853071.db2.gz HYOZIOKYKUBCKC-GCJKJVERSA-N 1 0 427.553 0.812 20 0 ICADRO C[C@@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001611776404 1072852954 /nfs/dbraw/zinc/85/29/54/1072852954.db2.gz HYOZIOKYKUBCKC-PGRDOPGGSA-N 1 0 427.553 0.812 20 0 ICADRO C[C@@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001611776405 1072852834 /nfs/dbraw/zinc/85/28/34/1072852834.db2.gz HYOZIOKYKUBCKC-XMSQKQJNSA-N 1 0 427.553 0.812 20 0 ICADRO C[C@]1(C(N)=O)CCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2CCOCC2)C1 ZINC001611779063 1072853694 /nfs/dbraw/zinc/85/36/94/1072853694.db2.gz WFYZVAPZZMASQU-NRFANRHFSA-N 1 0 433.557 0.215 20 0 ICADRO C[C@@]1(C(N)=O)CCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2CCOCC2)C1 ZINC001611779064 1072853618 /nfs/dbraw/zinc/85/36/18/1072853618.db2.gz WFYZVAPZZMASQU-OAQYLSRUSA-N 1 0 433.557 0.215 20 0 ICADRO CC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001611795679 1072855201 /nfs/dbraw/zinc/85/52/01/1072855201.db2.gz HDRNLFPQMWVSLO-DLBZAZTESA-N 1 0 441.598 0.642 20 0 ICADRO CC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001611795682 1072855530 /nfs/dbraw/zinc/85/55/30/1072855530.db2.gz HDRNLFPQMWVSLO-IAGOWNOFSA-N 1 0 441.598 0.642 20 0 ICADRO CC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001611795683 1072855380 /nfs/dbraw/zinc/85/53/80/1072855380.db2.gz HDRNLFPQMWVSLO-IRXDYDNUSA-N 1 0 441.598 0.642 20 0 ICADRO CC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001611795684 1072855323 /nfs/dbraw/zinc/85/53/23/1072855323.db2.gz HDRNLFPQMWVSLO-SJORKVTESA-N 1 0 441.598 0.642 20 0 ICADRO CC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)CCO1 ZINC001611796770 1072856038 /nfs/dbraw/zinc/85/60/38/1072856038.db2.gz YLPOVONYMQAKRH-INIZCTEOSA-N 1 0 442.586 0.322 20 0 ICADRO CC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)CCO1 ZINC001611796771 1072856103 /nfs/dbraw/zinc/85/61/03/1072856103.db2.gz YLPOVONYMQAKRH-MRXNPFEDSA-N 1 0 442.586 0.322 20 0 ICADRO Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)cnn1C ZINC001611875957 1072861055 /nfs/dbraw/zinc/86/10/55/1072861055.db2.gz HNAUCLMHFRNEGF-AWEZNQCLSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)cnn1C ZINC001611875958 1072861212 /nfs/dbraw/zinc/86/12/12/1072861212.db2.gz HNAUCLMHFRNEGF-CQSZACIVSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)cnn1C ZINC001611876714 1072861487 /nfs/dbraw/zinc/86/14/87/1072861487.db2.gz TVMVWRZRHCSAOT-PBHICJAKSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)cnn1C ZINC001611876715 1072861655 /nfs/dbraw/zinc/86/16/55/1072861655.db2.gz TVMVWRZRHCSAOT-RHSMWYFYSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)cnn1C ZINC001611876717 1072861580 /nfs/dbraw/zinc/86/15/80/1072861580.db2.gz TVMVWRZRHCSAOT-WMLDXEAASA-N 1 0 436.586 0.653 20 0 ICADRO Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)cnn1C ZINC001611876718 1072861696 /nfs/dbraw/zinc/86/16/96/1072861696.db2.gz TVMVWRZRHCSAOT-YOEHRIQHSA-N 1 0 436.586 0.653 20 0 ICADRO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001611876847 1072861507 /nfs/dbraw/zinc/86/15/07/1072861507.db2.gz UWKXTOLECWIWFN-FPMFFAJLSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001611876854 1072861527 /nfs/dbraw/zinc/86/15/27/1072861527.db2.gz UWKXTOLECWIWFN-KWCYVHTRSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001611876855 1072861621 /nfs/dbraw/zinc/86/16/21/1072861621.db2.gz UWKXTOLECWIWFN-UBHSHLNASA-N 1 0 440.599 0.769 20 0 ICADRO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001611876856 1072861778 /nfs/dbraw/zinc/86/17/78/1072861778.db2.gz UWKXTOLECWIWFN-XBFCOCLRSA-N 1 0 440.599 0.769 20 0 ICADRO Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3CCCC[NH+]3CCOCC3)CC2)no1 ZINC001611969433 1072864670 /nfs/dbraw/zinc/86/46/70/1072864670.db2.gz YVQSOPSGCILSIB-UHFFFAOYSA-N 1 0 446.556 0.756 20 0 ICADRO Cc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)o1 ZINC001612021240 1072865716 /nfs/dbraw/zinc/86/57/16/1072865716.db2.gz KTDHBHQGAOLTDX-UHFFFAOYSA-N 1 0 440.570 0.943 20 0 ICADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@H](C)[NH+](C)C)o1 ZINC001612040392 1072866645 /nfs/dbraw/zinc/86/66/45/1072866645.db2.gz GQVZTEWZEVMJHK-HNNXBMFYSA-N 1 0 431.541 0.970 20 0 ICADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001612040393 1072866794 /nfs/dbraw/zinc/86/67/94/1072866794.db2.gz GQVZTEWZEVMJHK-OAHLLOKOSA-N 1 0 431.541 0.970 20 0 ICADRO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCOCC[NH+](C)C)o1 ZINC001612042378 1072866750 /nfs/dbraw/zinc/86/67/50/1072866750.db2.gz AEVRDVCGECLFFJ-UHFFFAOYSA-N 1 0 433.557 0.635 20 0 ICADRO Cc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCNS(C)(=O)=O)o1 ZINC001612044004 1072866906 /nfs/dbraw/zinc/86/69/06/1072866906.db2.gz BASCOQFCJIMRLK-INIZCTEOSA-N 1 0 438.554 0.697 20 0 ICADRO Cc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCNS(C)(=O)=O)o1 ZINC001612044005 1072867277 /nfs/dbraw/zinc/86/72/77/1072867277.db2.gz BASCOQFCJIMRLK-MRXNPFEDSA-N 1 0 438.554 0.697 20 0 ICADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCNS(C)(=O)=O)o1 ZINC001612044259 1072867174 /nfs/dbraw/zinc/86/71/74/1072867174.db2.gz KGIABTBAPYMUPV-UHFFFAOYSA-N 1 0 440.570 0.943 20 0 ICADRO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCOCC[NH+](C)C)o1 ZINC001612046590 1072867221 /nfs/dbraw/zinc/86/72/21/1072867221.db2.gz ZGNNSPVKUNUKQY-HNNXBMFYSA-N 1 0 440.570 0.895 20 0 ICADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC001612059253 1072867628 /nfs/dbraw/zinc/86/76/28/1072867628.db2.gz RTLPDYAWULSAMC-KBXCAEBGSA-N 1 0 426.543 0.493 20 0 ICADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)o1 ZINC001612059259 1072867651 /nfs/dbraw/zinc/86/76/51/1072867651.db2.gz RTLPDYAWULSAMC-KDOFPFPSSA-N 1 0 426.543 0.493 20 0 ICADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)o1 ZINC001612059260 1072867837 /nfs/dbraw/zinc/86/78/37/1072867837.db2.gz RTLPDYAWULSAMC-KSSFIOAISA-N 1 0 426.543 0.493 20 0 ICADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC001612059262 1072867777 /nfs/dbraw/zinc/86/77/77/1072867777.db2.gz RTLPDYAWULSAMC-RDTXWAMCSA-N 1 0 426.543 0.493 20 0 ICADRO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001612108989 1072870349 /nfs/dbraw/zinc/87/03/49/1072870349.db2.gz ZDRPXYSKOOJASM-NRFANRHFSA-N 1 0 427.509 0.150 20 0 ICADRO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001612108990 1072870278 /nfs/dbraw/zinc/87/02/78/1072870278.db2.gz ZDRPXYSKOOJASM-OAQYLSRUSA-N 1 0 427.509 0.150 20 0 ICADRO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001612144280 1072870970 /nfs/dbraw/zinc/87/09/70/1072870970.db2.gz CVJHWRDTBZVKKS-GOSISDBHSA-N 1 0 428.537 0.949 20 0 ICADRO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001612144281 1072870781 /nfs/dbraw/zinc/87/07/81/1072870781.db2.gz CVJHWRDTBZVKKS-SFHVURJKSA-N 1 0 428.537 0.949 20 0 ICADRO Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001612207267 1072873136 /nfs/dbraw/zinc/87/31/36/1072873136.db2.gz GRJFECHKNZIEOZ-FQEVSTJZSA-N 1 0 449.581 0.187 20 0 ICADRO Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001612207268 1072873444 /nfs/dbraw/zinc/87/34/44/1072873444.db2.gz GRJFECHKNZIEOZ-HXUWFJFHSA-N 1 0 449.581 0.187 20 0 ICADRO Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001612207340 1072873363 /nfs/dbraw/zinc/87/33/63/1072873363.db2.gz UHJMBRDKYOWNHL-JXFKEZNVSA-N 1 0 434.566 0.729 20 0 ICADRO Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001612207341 1072873172 /nfs/dbraw/zinc/87/31/72/1072873172.db2.gz UHJMBRDKYOWNHL-OXJNMPFZSA-N 1 0 434.566 0.729 20 0 ICADRO Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001612207342 1072873263 /nfs/dbraw/zinc/87/32/63/1072873263.db2.gz UHJMBRDKYOWNHL-OXQOHEQNSA-N 1 0 434.566 0.729 20 0 ICADRO Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001612207343 1072873507 /nfs/dbraw/zinc/87/35/07/1072873507.db2.gz UHJMBRDKYOWNHL-UZLBHIALSA-N 1 0 434.566 0.729 20 0 ICADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001612208132 1072873407 /nfs/dbraw/zinc/87/34/07/1072873407.db2.gz CNSJRIICHNMTKL-KRWDZBQOSA-N 1 0 442.568 0.772 20 0 ICADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001612208133 1072873217 /nfs/dbraw/zinc/87/32/17/1072873217.db2.gz CNSJRIICHNMTKL-QGZVFWFLSA-N 1 0 442.568 0.772 20 0 ICADRO CC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001612331172 1072879753 /nfs/dbraw/zinc/87/97/53/1072879753.db2.gz MHXQPWIPKWEOHO-INIZCTEOSA-N 1 0 426.587 0.892 20 0 ICADRO CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001612331177 1072879577 /nfs/dbraw/zinc/87/95/77/1072879577.db2.gz MHXQPWIPKWEOHO-MRXNPFEDSA-N 1 0 426.587 0.892 20 0 ICADRO Cc1cnn(C[C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)CCO2)c1 ZINC001612340014 1072880185 /nfs/dbraw/zinc/88/01/85/1072880185.db2.gz HOTITKPNGPEQFA-MSOLQXFVSA-N 1 0 430.557 0.875 20 0 ICADRO Cc1cnn(C[C@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)CCO2)c1 ZINC001612340015 1072880005 /nfs/dbraw/zinc/88/00/05/1072880005.db2.gz HOTITKPNGPEQFA-QZTJIDSGSA-N 1 0 430.557 0.875 20 0 ICADRO Cc1cnn(C[C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)CCO2)c1 ZINC001612340016 1072880082 /nfs/dbraw/zinc/88/00/82/1072880082.db2.gz HOTITKPNGPEQFA-ROUUACIJSA-N 1 0 430.557 0.875 20 0 ICADRO Cc1cnn(C[C@H]2CN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)CCO2)c1 ZINC001612340017 1072880255 /nfs/dbraw/zinc/88/02/55/1072880255.db2.gz HOTITKPNGPEQFA-ZWKOTPCHSA-N 1 0 430.557 0.875 20 0 ICADRO Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)cs1 ZINC001612389608 1072882574 /nfs/dbraw/zinc/88/25/74/1072882574.db2.gz GRRFOUYGVQJLOF-INIZCTEOSA-N 1 0 442.611 0.835 20 0 ICADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)cs1 ZINC001612389609 1072882395 /nfs/dbraw/zinc/88/23/95/1072882395.db2.gz GRRFOUYGVQJLOF-MRXNPFEDSA-N 1 0 442.611 0.835 20 0 ICADRO Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CCC[NH+]2CCC(O)CC2)cs1 ZINC001612410863 1072883775 /nfs/dbraw/zinc/88/37/75/1072883775.db2.gz SEJJJCNXPZYLJI-UHFFFAOYSA-N 1 0 433.582 0.759 20 0 ICADRO Cc1nc(Cc2nnc(N3CCNC(=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001612411965 1072884498 /nfs/dbraw/zinc/88/44/98/1072884498.db2.gz GKWUSMJBVQWSCY-UHFFFAOYSA-N 1 0 446.625 0.986 20 0 ICADRO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)n[nH]1 ZINC001612418182 1072885162 /nfs/dbraw/zinc/88/51/62/1072885162.db2.gz BLGLPNNGBGTEEN-CYBMUJFWSA-N 1 0 439.590 0.478 20 0 ICADRO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)n[nH]1 ZINC001612418183 1072885715 /nfs/dbraw/zinc/88/57/15/1072885715.db2.gz BLGLPNNGBGTEEN-ZDUSSCGKSA-N 1 0 439.590 0.478 20 0 ICADRO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)n[nH]1 ZINC001612418430 1072885739 /nfs/dbraw/zinc/88/57/39/1072885739.db2.gz JAEOJYDTWDZTHL-CYBMUJFWSA-N 1 0 439.590 0.524 20 0 ICADRO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)n[nH]1 ZINC001612418431 1072886118 /nfs/dbraw/zinc/88/61/18/1072886118.db2.gz JAEOJYDTWDZTHL-ZDUSSCGKSA-N 1 0 439.590 0.524 20 0 ICADRO Cc1nc(CCn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)n[nH]1 ZINC001612420687 1072886155 /nfs/dbraw/zinc/88/61/55/1072886155.db2.gz NGRLRBLZAOQHKY-UHFFFAOYSA-N 1 0 426.529 0.951 20 0 ICADRO Cc1nc(CN2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[NH+](C)C)CC2)no1 ZINC001612425022 1072886555 /nfs/dbraw/zinc/88/65/55/1072886555.db2.gz FJBKLUVJSASQLJ-HNNXBMFYSA-N 1 0 433.561 0.770 20 0 ICADRO Cc1nc(CN2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[NH+](C)C)CC2)no1 ZINC001612425023 1072886850 /nfs/dbraw/zinc/88/68/50/1072886850.db2.gz FJBKLUVJSASQLJ-OAHLLOKOSA-N 1 0 433.561 0.770 20 0 ICADRO Cc1nc(S(=O)(=O)N2CCN(c3nnc(C)n3CC(C)(C)C[NH+](C)C)CC2)cn1C ZINC001612428120 1072887309 /nfs/dbraw/zinc/88/73/09/1072887309.db2.gz QTLLJHXBARLYLZ-UHFFFAOYSA-N 1 0 438.602 0.727 20 0 ICADRO Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001612448343 1072889010 /nfs/dbraw/zinc/88/90/10/1072889010.db2.gz IYANCXULLWLENW-GOSISDBHSA-N 1 0 430.557 0.780 20 0 ICADRO Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001612448344 1072889130 /nfs/dbraw/zinc/88/91/30/1072889130.db2.gz IYANCXULLWLENW-SFHVURJKSA-N 1 0 430.557 0.780 20 0 ICADRO Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001612448369 1072889370 /nfs/dbraw/zinc/88/93/70/1072889370.db2.gz JSZSSDYCKUFQKJ-DOTOQJQBSA-N 1 0 436.586 0.768 20 0 ICADRO Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001612448370 1072889308 /nfs/dbraw/zinc/88/93/08/1072889308.db2.gz JSZSSDYCKUFQKJ-NVXWUHKLSA-N 1 0 436.586 0.768 20 0 ICADRO Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001612448371 1072889071 /nfs/dbraw/zinc/88/90/71/1072889071.db2.gz JSZSSDYCKUFQKJ-RDJZCZTQSA-N 1 0 436.586 0.768 20 0 ICADRO Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001612448372 1072889726 /nfs/dbraw/zinc/88/97/26/1072889726.db2.gz JSZSSDYCKUFQKJ-WBVHZDCISA-N 1 0 436.586 0.768 20 0 ICADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)C)CC2)n(C)n1 ZINC001612467035 1072892462 /nfs/dbraw/zinc/89/24/62/1072892462.db2.gz IOMKBDXMKQJSNX-INIZCTEOSA-N 1 0 438.602 0.899 20 0 ICADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)C)CC2)n(C)n1 ZINC001612467036 1072892348 /nfs/dbraw/zinc/89/23/48/1072892348.db2.gz IOMKBDXMKQJSNX-MRXNPFEDSA-N 1 0 438.602 0.899 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001612476991 1072893943 /nfs/dbraw/zinc/89/39/43/1072893943.db2.gz DSIKZHBRIYXESD-INIZCTEOSA-N 1 0 432.573 0.951 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC(N)=O)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001612476992 1072893850 /nfs/dbraw/zinc/89/38/50/1072893850.db2.gz DSIKZHBRIYXESD-MRXNPFEDSA-N 1 0 432.573 0.951 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001612477327 1072893898 /nfs/dbraw/zinc/89/38/98/1072893898.db2.gz HZDFPWJJTPAHJY-GOSISDBHSA-N 1 0 444.584 0.919 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001612477328 1072894126 /nfs/dbraw/zinc/89/41/26/1072894126.db2.gz HZDFPWJJTPAHJY-SFHVURJKSA-N 1 0 444.584 0.919 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC(N)=O)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001612478256 1072893886 /nfs/dbraw/zinc/89/38/86/1072893886.db2.gz UCDOPXWCXUSCIV-INIZCTEOSA-N 1 0 432.573 0.687 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC(N)=O)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001612478327 1072894036 /nfs/dbraw/zinc/89/40/36/1072894036.db2.gz UCDOPXWCXUSCIV-MRXNPFEDSA-N 1 0 432.573 0.687 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[NH+]2CCSCC2)n1 ZINC001612486106 1072895073 /nfs/dbraw/zinc/89/50/73/1072895073.db2.gz AXIJESZMKJTOOE-KRWDZBQOSA-N 1 0 432.598 0.855 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[NH+]2CCSCC2)n1 ZINC001612486107 1072894986 /nfs/dbraw/zinc/89/49/86/1072894986.db2.gz AXIJESZMKJTOOE-QGZVFWFLSA-N 1 0 432.598 0.855 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCC4(CNC(=O)C4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001612494425 1072896600 /nfs/dbraw/zinc/89/66/00/1072896600.db2.gz HFAOKEDOIULJEA-UHFFFAOYSA-N 1 0 444.584 0.824 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001612495611 1072896788 /nfs/dbraw/zinc/89/67/88/1072896788.db2.gz PVQQPMFAFXSCKK-MOPGFXCFSA-N 1 0 444.584 0.688 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001612495612 1072896861 /nfs/dbraw/zinc/89/68/61/1072896861.db2.gz PVQQPMFAFXSCKK-OALUTQOASA-N 1 0 444.584 0.688 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)n1 ZINC001612495613 1072896641 /nfs/dbraw/zinc/89/66/41/1072896641.db2.gz PVQQPMFAFXSCKK-RBUKOAKNSA-N 1 0 444.584 0.688 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)n1 ZINC001612495614 1072896729 /nfs/dbraw/zinc/89/67/29/1072896729.db2.gz PVQQPMFAFXSCKK-RTBURBONSA-N 1 0 444.584 0.688 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001612500429 1072897802 /nfs/dbraw/zinc/89/78/02/1072897802.db2.gz ZKXILPYRDVQAGJ-SFHVURJKSA-N 1 0 444.584 0.688 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)CN2CCOCC2)n1 ZINC001612501175 1072897707 /nfs/dbraw/zinc/89/77/07/1072897707.db2.gz DUCLRDFGYKOKIJ-APWZRJJASA-N 1 0 444.584 0.775 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)CN2CCOCC2)n1 ZINC001612501176 1072897583 /nfs/dbraw/zinc/89/75/83/1072897583.db2.gz DUCLRDFGYKOKIJ-LPHOPBHVSA-N 1 0 444.584 0.775 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)CN2CCOCC2)n1 ZINC001612501177 1072897762 /nfs/dbraw/zinc/89/77/62/1072897762.db2.gz DUCLRDFGYKOKIJ-QFBILLFUSA-N 1 0 444.584 0.775 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001612502004 1072898813 /nfs/dbraw/zinc/89/88/13/1072898813.db2.gz BQQRBGNZQCTELE-HDICACEKSA-N 1 0 430.557 0.575 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001612502005 1072898694 /nfs/dbraw/zinc/89/86/94/1072898694.db2.gz BQQRBGNZQCTELE-QZTJIDSGSA-N 1 0 430.557 0.575 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001612502006 1072898783 /nfs/dbraw/zinc/89/87/83/1072898783.db2.gz BQQRBGNZQCTELE-ROUUACIJSA-N 1 0 430.557 0.575 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612502275 1072898758 /nfs/dbraw/zinc/89/87/58/1072898758.db2.gz LFSJITNOEDMULY-UHFFFAOYSA-N 1 0 438.602 0.467 20 0 ICADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(=O)N2CCOCC2)n1 ZINC001612503211 1072899242 /nfs/dbraw/zinc/89/92/42/1072899242.db2.gz ZGYLBJNFQGNDKE-UHFFFAOYSA-N 1 0 444.584 0.777 20 0 ICADRO CCOC(=O)c1ncc(Br)c(N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)n1 ZINC001612506682 1072900206 /nfs/dbraw/zinc/90/02/06/1072900206.db2.gz IVNPYIWTZBQAGT-GFCCVEGCSA-N 1 0 444.330 0.429 20 0 ICADRO CCOC(=O)c1ncc(Br)c(N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)n1 ZINC001612506683 1072900134 /nfs/dbraw/zinc/90/01/34/1072900134.db2.gz IVNPYIWTZBQAGT-LBPRGKRZSA-N 1 0 444.330 0.429 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO)C2 ZINC001612514268 1072900811 /nfs/dbraw/zinc/90/08/11/1072900811.db2.gz WKNOUAJEMXZOLG-INIZCTEOSA-N 1 0 431.545 0.183 20 0 ICADRO Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@@H+]1CCCO)C2 ZINC001612514272 1072900926 /nfs/dbraw/zinc/90/09/26/1072900926.db2.gz WKNOUAJEMXZOLG-MRXNPFEDSA-N 1 0 431.545 0.183 20 0 ICADRO Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)s1 ZINC001612523609 1072901821 /nfs/dbraw/zinc/90/18/21/1072901821.db2.gz AGECZZOZPVLCKG-GFCCVEGCSA-N 1 0 440.599 0.771 20 0 ICADRO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)s1 ZINC001612523610 1072902293 /nfs/dbraw/zinc/90/22/93/1072902293.db2.gz AGECZZOZPVLCKG-LBPRGKRZSA-N 1 0 440.599 0.771 20 0 ICADRO Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001612533591 1072902558 /nfs/dbraw/zinc/90/25/58/1072902558.db2.gz HQUSZMHSBJRVLR-NRFANRHFSA-N 1 0 442.564 0.887 20 0 ICADRO Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001612533592 1072902609 /nfs/dbraw/zinc/90/26/09/1072902609.db2.gz HQUSZMHSBJRVLR-OAQYLSRUSA-N 1 0 442.564 0.887 20 0 ICADRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001612543119 1072902920 /nfs/dbraw/zinc/90/29/20/1072902920.db2.gz DYMSINXTLXLPKG-IBGZPJMESA-N 1 0 440.552 0.833 20 0 ICADRO Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCS(=O)(=O)N(C)C ZINC001612545835 1072902946 /nfs/dbraw/zinc/90/29/46/1072902946.db2.gz IBTYCHHWPZBLHN-FUHWJXTLSA-N 1 0 438.602 0.731 20 0 ICADRO Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC(=O)N1CCOCC1 ZINC001612546296 1072903132 /nfs/dbraw/zinc/90/31/32/1072903132.db2.gz XBIDXUAGPOWGBN-FXAWDEMLSA-N 1 0 430.557 0.698 20 0 ICADRO Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001612556243 1072903152 /nfs/dbraw/zinc/90/31/52/1072903152.db2.gz CDWWEOLOUPOHNQ-UHFFFAOYSA-N 1 0 429.569 0.789 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCCS(C)(=O)=O ZINC001612557614 1072903636 /nfs/dbraw/zinc/90/36/36/1072903636.db2.gz AXLZNFBJOMWPHH-UHFFFAOYSA-N 1 0 440.614 0.840 20 0 ICADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(=O)NCC1CC1 ZINC001612558293 1072903599 /nfs/dbraw/zinc/90/35/99/1072903599.db2.gz SXHNBYSTBCEPIZ-UHFFFAOYSA-N 1 0 431.585 0.931 20 0 ICADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001612561169 1072903645 /nfs/dbraw/zinc/90/36/45/1072903645.db2.gz AWQHEMGVKAGENA-GXZWQRSESA-N 1 0 433.557 0.900 20 0 ICADRO Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612561173 1072903573 /nfs/dbraw/zinc/90/35/73/1072903573.db2.gz AWQHEMGVKAGENA-LRAJWGHMSA-N 1 0 433.557 0.900 20 0 ICADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001612561174 1072903622 /nfs/dbraw/zinc/90/36/22/1072903622.db2.gz AWQHEMGVKAGENA-PZPWOCDFSA-N 1 0 433.557 0.900 20 0 ICADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612561175 1072903484 /nfs/dbraw/zinc/90/34/84/1072903484.db2.gz AWQHEMGVKAGENA-ZSDSOXJFSA-N 1 0 433.557 0.900 20 0 ICADRO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001612566460 1072904034 /nfs/dbraw/zinc/90/40/34/1072904034.db2.gz PNTKVLJCBQKYOU-KRWDZBQOSA-N 1 0 444.584 0.935 20 0 ICADRO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001612566461 1072904151 /nfs/dbraw/zinc/90/41/51/1072904151.db2.gz PNTKVLJCBQKYOU-QGZVFWFLSA-N 1 0 444.584 0.935 20 0 ICADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001612569321 1072904110 /nfs/dbraw/zinc/90/41/10/1072904110.db2.gz FKHCSKJHLGIHOH-SFHVURJKSA-N 1 0 432.573 0.570 20 0 ICADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCCn1cc(CO)nn1 ZINC001612569696 1072904087 /nfs/dbraw/zinc/90/40/87/1072904087.db2.gz RPYQECUWYAIPOI-UHFFFAOYSA-N 1 0 431.589 0.755 20 0 ICADRO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001612571239 1072904560 /nfs/dbraw/zinc/90/45/60/1072904560.db2.gz UXHIAHLUVXKKND-FQEVSTJZSA-N 1 0 448.593 0.719 20 0 ICADRO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001612571240 1072904507 /nfs/dbraw/zinc/90/45/07/1072904507.db2.gz UXHIAHLUVXKKND-HXUWFJFHSA-N 1 0 448.593 0.719 20 0 ICADRO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001612571561 1072904474 /nfs/dbraw/zinc/90/44/74/1072904474.db2.gz DPDVMPYETZIBDV-KRWDZBQOSA-N 1 0 441.602 0.047 20 0 ICADRO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001612571562 1072904490 /nfs/dbraw/zinc/90/44/90/1072904490.db2.gz DPDVMPYETZIBDV-QGZVFWFLSA-N 1 0 441.602 0.047 20 0 ICADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001612572521 1072904551 /nfs/dbraw/zinc/90/45/51/1072904551.db2.gz JCSWUUFZUDVMLQ-KRWDZBQOSA-N 1 0 443.552 0.975 20 0 ICADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001612572522 1072904524 /nfs/dbraw/zinc/90/45/24/1072904524.db2.gz JCSWUUFZUDVMLQ-QGZVFWFLSA-N 1 0 443.552 0.975 20 0 ICADRO Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001612574563 1072904973 /nfs/dbraw/zinc/90/49/73/1072904973.db2.gz ARBAIDAIJPAKEN-KRWDZBQOSA-N 1 0 426.587 0.543 20 0 ICADRO Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001612574564 1072904986 /nfs/dbraw/zinc/90/49/86/1072904986.db2.gz ARBAIDAIJPAKEN-QGZVFWFLSA-N 1 0 426.587 0.543 20 0 ICADRO Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001612583684 1072906018 /nfs/dbraw/zinc/90/60/18/1072906018.db2.gz GEZXAFZKJITFAP-DLBZAZTESA-N 1 0 431.545 0.475 20 0 ICADRO Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001612583685 1072906076 /nfs/dbraw/zinc/90/60/76/1072906076.db2.gz GEZXAFZKJITFAP-IAGOWNOFSA-N 1 0 431.545 0.475 20 0 ICADRO Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001612583686 1072906113 /nfs/dbraw/zinc/90/61/13/1072906113.db2.gz GEZXAFZKJITFAP-IRXDYDNUSA-N 1 0 431.545 0.475 20 0 ICADRO Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001612583687 1072906049 /nfs/dbraw/zinc/90/60/49/1072906049.db2.gz GEZXAFZKJITFAP-SJORKVTESA-N 1 0 431.545 0.475 20 0 ICADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001612585472 1072906089 /nfs/dbraw/zinc/90/60/89/1072906089.db2.gz BJDLJMRJJCWJFU-KRWDZBQOSA-N 1 0 428.603 0.805 20 0 ICADRO Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001612585473 1072905966 /nfs/dbraw/zinc/90/59/66/1072905966.db2.gz BJDLJMRJJCWJFU-QGZVFWFLSA-N 1 0 428.603 0.805 20 0 ICADRO Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001612590620 1072906463 /nfs/dbraw/zinc/90/64/63/1072906463.db2.gz CHPDOZGNVZKANT-GOSISDBHSA-N 1 0 436.586 0.456 20 0 ICADRO Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCOCCS(C)(=O)=O ZINC001612590846 1072906446 /nfs/dbraw/zinc/90/64/46/1072906446.db2.gz GTBFZYYUPUEPOM-UHFFFAOYSA-N 1 0 425.559 0.094 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612592374 1072906919 /nfs/dbraw/zinc/90/69/19/1072906919.db2.gz CIOZVIHGGOHZGJ-CALCHBBNSA-N 1 0 449.600 0.648 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001612592375 1072906980 /nfs/dbraw/zinc/90/69/80/1072906980.db2.gz CIOZVIHGGOHZGJ-IAGOWNOFSA-N 1 0 449.600 0.648 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001612592376 1072906935 /nfs/dbraw/zinc/90/69/35/1072906935.db2.gz CIOZVIHGGOHZGJ-IRXDYDNUSA-N 1 0 449.600 0.648 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001612592418 1072906875 /nfs/dbraw/zinc/90/68/75/1072906875.db2.gz FGAINECFQRQOEL-GOSISDBHSA-N 1 0 447.584 0.358 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001612592419 1072906947 /nfs/dbraw/zinc/90/69/47/1072906947.db2.gz FGAINECFQRQOEL-SFHVURJKSA-N 1 0 447.584 0.358 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001612592555 1072906997 /nfs/dbraw/zinc/90/69/97/1072906997.db2.gz LYEZXCBBBVRRNP-UHFFFAOYSA-N 1 0 447.584 0.358 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001612592588 1072906902 /nfs/dbraw/zinc/90/69/02/1072906902.db2.gz NGIVQGVWLXAIAQ-UHFFFAOYSA-N 1 0 439.564 0.818 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001612592984 1072907463 /nfs/dbraw/zinc/90/74/63/1072907463.db2.gz YSBZTDTVGLJBBI-UHFFFAOYSA-N 1 0 427.553 0.892 20 0 ICADRO Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001612594100 1072908025 /nfs/dbraw/zinc/90/80/25/1072908025.db2.gz QZUAEAMCLMUOEW-GOSISDBHSA-N 1 0 442.503 0.364 20 0 ICADRO Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001612594101 1072907853 /nfs/dbraw/zinc/90/78/53/1072907853.db2.gz QZUAEAMCLMUOEW-SFHVURJKSA-N 1 0 442.503 0.364 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001612595217 1072907957 /nfs/dbraw/zinc/90/79/57/1072907957.db2.gz IHQVJZRTFMABFL-IBGZPJMESA-N 1 0 433.601 0.689 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001612595218 1072907803 /nfs/dbraw/zinc/90/78/03/1072907803.db2.gz IHQVJZRTFMABFL-LJQANCHMSA-N 1 0 433.601 0.689 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001612595259 1072907881 /nfs/dbraw/zinc/90/78/81/1072907881.db2.gz JZDCMCWXHQFOMC-GOSISDBHSA-N 1 0 431.541 0.463 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001612595260 1072907966 /nfs/dbraw/zinc/90/79/66/1072907966.db2.gz JZDCMCWXHQFOMC-SFHVURJKSA-N 1 0 431.541 0.463 20 0 ICADRO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612595301 1072907814 /nfs/dbraw/zinc/90/78/14/1072907814.db2.gz LNOLOTHJJMOPCL-NRFANRHFSA-N 1 0 432.500 0.520 20 0 ICADRO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612595302 1072907862 /nfs/dbraw/zinc/90/78/62/1072907862.db2.gz LNOLOTHJJMOPCL-OAQYLSRUSA-N 1 0 432.500 0.520 20 0 ICADRO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001612595432 1072907808 /nfs/dbraw/zinc/90/78/08/1072907808.db2.gz QHEGOKAKJNTDSQ-UHFFFAOYSA-N 1 0 433.601 0.833 20 0 ICADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001612595630 1072908436 /nfs/dbraw/zinc/90/84/36/1072908436.db2.gz YLMUXBBTOYAFRD-UHFFFAOYSA-N 1 0 443.527 0.900 20 0 ICADRO Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[NH+]1CCSCC1 ZINC001612595854 1072908486 /nfs/dbraw/zinc/90/84/86/1072908486.db2.gz FBHBCJYJSIRNNH-IBGZPJMESA-N 1 0 429.594 0.984 20 0 ICADRO Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[NH+]1CCSCC1 ZINC001612595855 1072908407 /nfs/dbraw/zinc/90/84/07/1072908407.db2.gz FBHBCJYJSIRNNH-LJQANCHMSA-N 1 0 429.594 0.984 20 0 ICADRO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612596443 1072908898 /nfs/dbraw/zinc/90/88/98/1072908898.db2.gz XDURVLSIDVITQM-FXAWDEMLSA-N 1 0 433.601 0.613 20 0 ICADRO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612596444 1072908961 /nfs/dbraw/zinc/90/89/61/1072908961.db2.gz XDURVLSIDVITQM-PXNSSMCTSA-N 1 0 433.601 0.613 20 0 ICADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612596445 1072909018 /nfs/dbraw/zinc/90/90/18/1072909018.db2.gz XDURVLSIDVITQM-XLIONFOSSA-N 1 0 433.601 0.613 20 0 ICADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612596446 1072908972 /nfs/dbraw/zinc/90/89/72/1072908972.db2.gz XDURVLSIDVITQM-YLJYHZDGSA-N 1 0 433.601 0.613 20 0 ICADRO Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001612598343 1072908911 /nfs/dbraw/zinc/90/89/11/1072908911.db2.gz HYOBRNGSKAMQTN-UHFFFAOYSA-N 1 0 427.553 0.859 20 0 ICADRO Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612598479 1072909284 /nfs/dbraw/zinc/90/92/84/1072909284.db2.gz MSTUNCMUSKHKTG-CALCHBBNSA-N 1 0 442.568 0.906 20 0 ICADRO Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001612598480 1072909216 /nfs/dbraw/zinc/90/92/16/1072909216.db2.gz MSTUNCMUSKHKTG-IAGOWNOFSA-N 1 0 442.568 0.906 20 0 ICADRO Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001612598481 1072909352 /nfs/dbraw/zinc/90/93/52/1072909352.db2.gz MSTUNCMUSKHKTG-IRXDYDNUSA-N 1 0 442.568 0.906 20 0 ICADRO Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001612598696 1072909346 /nfs/dbraw/zinc/90/93/46/1072909346.db2.gz VMNBCDVZOOXXGV-KRWDZBQOSA-N 1 0 427.553 0.980 20 0 ICADRO Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001612598697 1072909243 /nfs/dbraw/zinc/90/92/43/1072909243.db2.gz VMNBCDVZOOXXGV-QGZVFWFLSA-N 1 0 427.553 0.980 20 0 ICADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCC[NH+]1CCOCC1 ZINC001612599174 1072909358 /nfs/dbraw/zinc/90/93/58/1072909358.db2.gz CLIFIOPSQHXCJU-UHFFFAOYSA-N 1 0 428.541 0.519 20 0 ICADRO Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001612601589 1072909827 /nfs/dbraw/zinc/90/98/27/1072909827.db2.gz NWJYTOUVWVEQIP-UHFFFAOYSA-N 1 0 441.536 0.151 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCOCC[NH+](C)C ZINC001612602312 1072910302 /nfs/dbraw/zinc/91/03/02/1072910302.db2.gz TYPWPPQOGMYXNZ-KDURUIRLSA-N 1 0 435.617 0.791 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CCOCC[NH+](C)C ZINC001612602313 1072910234 /nfs/dbraw/zinc/91/02/34/1072910234.db2.gz TYPWPPQOGMYXNZ-OALUTQOASA-N 1 0 435.617 0.791 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCOCC[NH+](C)C ZINC001612602314 1072910215 /nfs/dbraw/zinc/91/02/15/1072910215.db2.gz TYPWPPQOGMYXNZ-RTBURBONSA-N 1 0 435.617 0.791 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001612602321 1072910241 /nfs/dbraw/zinc/91/02/41/1072910241.db2.gz UDZVAFWCVISNMC-NRFANRHFSA-N 1 0 441.580 0.412 20 0 ICADRO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001612602322 1072910183 /nfs/dbraw/zinc/91/01/83/1072910183.db2.gz UDZVAFWCVISNMC-OAQYLSRUSA-N 1 0 441.580 0.412 20 0 ICADRO Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001612604962 1072910745 /nfs/dbraw/zinc/91/07/45/1072910745.db2.gz DPHIZHOBBCAXAE-UHFFFAOYSA-N 1 0 439.607 0.952 20 0 ICADRO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001612606079 1072911254 /nfs/dbraw/zinc/91/12/54/1072911254.db2.gz OUOITZASNIMAOO-INIZCTEOSA-N 1 0 428.603 0.946 20 0 ICADRO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001612606080 1072911268 /nfs/dbraw/zinc/91/12/68/1072911268.db2.gz OUOITZASNIMAOO-MRXNPFEDSA-N 1 0 428.603 0.946 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001612606130 1072911208 /nfs/dbraw/zinc/91/12/08/1072911208.db2.gz PXMBDZUZMMFVBO-IBGZPJMESA-N 1 0 434.566 0.283 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001612606131 1072911243 /nfs/dbraw/zinc/91/12/43/1072911243.db2.gz PXMBDZUZMMFVBO-LJQANCHMSA-N 1 0 434.566 0.283 20 0 ICADRO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001612606326 1072911234 /nfs/dbraw/zinc/91/12/34/1072911234.db2.gz WXZZIACSSFVAKT-UHFFFAOYSA-N 1 0 426.587 0.725 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001612607312 1072911622 /nfs/dbraw/zinc/91/16/22/1072911622.db2.gz KLRALRFYYSYQQR-ARFHVFGLSA-N 1 0 428.603 0.944 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612607313 1072911723 /nfs/dbraw/zinc/91/17/23/1072911723.db2.gz KLRALRFYYSYQQR-HRCADAONSA-N 1 0 428.603 0.944 20 0 ICADRO Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001612607314 1072911686 /nfs/dbraw/zinc/91/16/86/1072911686.db2.gz KLRALRFYYSYQQR-JYJNAYRXSA-N 1 0 428.603 0.944 20 0 ICADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001612607397 1072911666 /nfs/dbraw/zinc/91/16/66/1072911666.db2.gz MSEZIJPOFYWSIS-IBGZPJMESA-N 1 0 425.537 0.622 20 0 ICADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001612607398 1072911637 /nfs/dbraw/zinc/91/16/37/1072911637.db2.gz MSEZIJPOFYWSIS-LJQANCHMSA-N 1 0 425.537 0.622 20 0 ICADRO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001612607556 1072911646 /nfs/dbraw/zinc/91/16/46/1072911646.db2.gz ODPSNNYMJQSJGB-UHFFFAOYSA-N 1 0 445.572 0.318 20 0 ICADRO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001612608362 1072911695 /nfs/dbraw/zinc/91/16/95/1072911695.db2.gz VRMXFCSRFZMFHA-INIZCTEOSA-N 1 0 433.561 0.029 20 0 ICADRO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001612608363 1072912102 /nfs/dbraw/zinc/91/21/02/1072912102.db2.gz VRMXFCSRFZMFHA-MRXNPFEDSA-N 1 0 433.561 0.029 20 0 ICADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)n1 ZINC001612638068 1072913808 /nfs/dbraw/zinc/91/38/08/1072913808.db2.gz UNDNIUSZMVRIJT-FQEVSTJZSA-N 1 0 432.529 0.558 20 0 ICADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)n1 ZINC001612638072 1072913869 /nfs/dbraw/zinc/91/38/69/1072913869.db2.gz UNDNIUSZMVRIJT-HXUWFJFHSA-N 1 0 432.529 0.558 20 0 ICADRO Cc1cc(CN2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001612649720 1072915146 /nfs/dbraw/zinc/91/51/46/1072915146.db2.gz IUIUPJJXZAEPEI-GOSISDBHSA-N 1 0 433.557 0.979 20 0 ICADRO Cc1cc(CN2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)on1 ZINC001612649723 1072915168 /nfs/dbraw/zinc/91/51/68/1072915168.db2.gz IUIUPJJXZAEPEI-SFHVURJKSA-N 1 0 433.557 0.979 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001612650555 1072915130 /nfs/dbraw/zinc/91/51/30/1072915130.db2.gz IYPKJWLAONHUHV-INIZCTEOSA-N 1 0 433.557 0.292 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001612650556 1072915159 /nfs/dbraw/zinc/91/51/59/1072915159.db2.gz IYPKJWLAONHUHV-MRXNPFEDSA-N 1 0 433.557 0.292 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCOC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001612655189 1072916862 /nfs/dbraw/zinc/91/68/62/1072916862.db2.gz ZVCOSYGQSMRHBJ-HKUYNNGSSA-N 1 0 433.601 0.723 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCOC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001612655190 1072916851 /nfs/dbraw/zinc/91/68/51/1072916851.db2.gz ZVCOSYGQSMRHBJ-IEBWSBKVSA-N 1 0 433.601 0.723 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCOC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001612655191 1072916957 /nfs/dbraw/zinc/91/69/57/1072916957.db2.gz ZVCOSYGQSMRHBJ-MJGOQNOKSA-N 1 0 433.601 0.723 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCOC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001612655192 1072916987 /nfs/dbraw/zinc/91/69/87/1072916987.db2.gz ZVCOSYGQSMRHBJ-PKOBYXMFSA-N 1 0 433.601 0.723 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001612655855 1072917278 /nfs/dbraw/zinc/91/72/78/1072917278.db2.gz ONMNAYIOQZRREA-GOSISDBHSA-N 1 0 440.596 0.957 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001612655856 1072917357 /nfs/dbraw/zinc/91/73/57/1072917357.db2.gz ONMNAYIOQZRREA-SFHVURJKSA-N 1 0 440.596 0.957 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001612656247 1072917388 /nfs/dbraw/zinc/91/73/88/1072917388.db2.gz WEQJQSRAGHETDZ-HKUYNNGSSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001612656248 1072917336 /nfs/dbraw/zinc/91/73/36/1072917336.db2.gz WEQJQSRAGHETDZ-IEBWSBKVSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001612656249 1072917413 /nfs/dbraw/zinc/91/74/13/1072917413.db2.gz WEQJQSRAGHETDZ-MJGOQNOKSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001612656250 1072917393 /nfs/dbraw/zinc/91/73/93/1072917393.db2.gz WEQJQSRAGHETDZ-PKOBYXMFSA-N 1 0 427.553 0.778 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612657299 1072917833 /nfs/dbraw/zinc/91/78/33/1072917833.db2.gz DVJORSBNORCQFK-MSOLQXFVSA-N 1 0 447.584 0.304 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612657300 1072917855 /nfs/dbraw/zinc/91/78/55/1072917855.db2.gz DVJORSBNORCQFK-QZTJIDSGSA-N 1 0 447.584 0.304 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612657301 1072917712 /nfs/dbraw/zinc/91/77/12/1072917712.db2.gz DVJORSBNORCQFK-ROUUACIJSA-N 1 0 447.584 0.304 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612657302 1072917770 /nfs/dbraw/zinc/91/77/70/1072917770.db2.gz DVJORSBNORCQFK-ZWKOTPCHSA-N 1 0 447.584 0.304 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001612657399 1072917850 /nfs/dbraw/zinc/91/78/50/1072917850.db2.gz GQPCRJXOUNTPFV-BTYIYWSLSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001612657400 1072917730 /nfs/dbraw/zinc/91/77/30/1072917730.db2.gz GQPCRJXOUNTPFV-QVKFZJNVSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001612657401 1072917865 /nfs/dbraw/zinc/91/78/65/1072917865.db2.gz GQPCRJXOUNTPFV-VFNWGFHPSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001612657402 1072917898 /nfs/dbraw/zinc/91/78/98/1072917898.db2.gz GQPCRJXOUNTPFV-YCRPNKLZSA-N 1 0 432.500 0.730 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001612658553 1072917747 /nfs/dbraw/zinc/91/77/47/1072917747.db2.gz SDXHPTPVQJZJMP-JLTOFOAXSA-N 1 0 447.565 0.003 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001612658554 1072917796 /nfs/dbraw/zinc/91/77/96/1072917796.db2.gz SDXHPTPVQJZJMP-VBKZILBWSA-N 1 0 447.565 0.003 20 0 ICADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001612658555 1072917876 /nfs/dbraw/zinc/91/78/76/1072917876.db2.gz SDXHPTPVQJZJMP-VLIAUNLRSA-N 1 0 447.565 0.003 20 0 ICADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001612658556 1072917809 /nfs/dbraw/zinc/91/78/09/1072917809.db2.gz SDXHPTPVQJZJMP-XOBRGWDASA-N 1 0 447.565 0.003 20 0 ICADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)C)CC1 ZINC001612720814 1072919935 /nfs/dbraw/zinc/91/99/35/1072919935.db2.gz LJUFTGRCGSAELY-CEXWTWQISA-N 1 0 433.601 0.865 20 0 ICADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)C)CC1 ZINC001612720815 1072920451 /nfs/dbraw/zinc/92/04/51/1072920451.db2.gz LJUFTGRCGSAELY-GUDVDZBRSA-N 1 0 433.601 0.865 20 0 ICADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)C)CC1 ZINC001612720816 1072920428 /nfs/dbraw/zinc/92/04/28/1072920428.db2.gz LJUFTGRCGSAELY-OTWHNJEPSA-N 1 0 433.601 0.865 20 0 ICADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)C)CC1 ZINC001612720817 1072920460 /nfs/dbraw/zinc/92/04/60/1072920460.db2.gz LJUFTGRCGSAELY-QRVBRYPASA-N 1 0 433.601 0.865 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001612778288 1072921666 /nfs/dbraw/zinc/92/16/66/1072921666.db2.gz GMEDDHUMGOZPRK-CVEARBPZSA-N 1 0 443.618 0.522 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001612778289 1072921588 /nfs/dbraw/zinc/92/15/88/1072921588.db2.gz GMEDDHUMGOZPRK-HOTGVXAUSA-N 1 0 443.618 0.522 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001612778290 1072921603 /nfs/dbraw/zinc/92/16/03/1072921603.db2.gz GMEDDHUMGOZPRK-HZPDHXFCSA-N 1 0 443.618 0.522 20 0 ICADRO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001612778291 1072921659 /nfs/dbraw/zinc/92/16/59/1072921659.db2.gz GMEDDHUMGOZPRK-JKSUJKDBSA-N 1 0 443.618 0.522 20 0 ICADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612778580 1072921635 /nfs/dbraw/zinc/92/16/35/1072921635.db2.gz KACHNFHHHYESQW-BZUAXINKSA-N 1 0 446.643 0.577 20 0 ICADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612778581 1072921509 /nfs/dbraw/zinc/92/15/09/1072921509.db2.gz KACHNFHHHYESQW-OAGGEKHMSA-N 1 0 446.643 0.577 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001612778582 1072921577 /nfs/dbraw/zinc/92/15/77/1072921577.db2.gz KACHNFHHHYESQW-OWCLPIDISA-N 1 0 446.643 0.577 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612778583 1072922000 /nfs/dbraw/zinc/92/20/00/1072922000.db2.gz KACHNFHHHYESQW-PMPSAXMXSA-N 1 0 446.643 0.577 20 0 ICADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612782169 1072921988 /nfs/dbraw/zinc/92/19/88/1072921988.db2.gz XOVQKXGOBJWCRX-BRWVUGGUSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612782170 1072922017 /nfs/dbraw/zinc/92/20/17/1072922017.db2.gz XOVQKXGOBJWCRX-IKGGRYGDSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612782171 1072922052 /nfs/dbraw/zinc/92/20/52/1072922052.db2.gz XOVQKXGOBJWCRX-IXDOHACOSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001612782172 1072922098 /nfs/dbraw/zinc/92/20/98/1072922098.db2.gz XOVQKXGOBJWCRX-ZACQAIPSSA-N 1 0 438.598 0.579 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001612786896 1072922133 /nfs/dbraw/zinc/92/21/33/1072922133.db2.gz KHJWRUDWYPKWHK-CVEARBPZSA-N 1 0 428.603 0.971 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001612786897 1072922030 /nfs/dbraw/zinc/92/20/30/1072922030.db2.gz KHJWRUDWYPKWHK-HOTGVXAUSA-N 1 0 428.603 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001612786898 1072922067 /nfs/dbraw/zinc/92/20/67/1072922067.db2.gz KHJWRUDWYPKWHK-HZPDHXFCSA-N 1 0 428.603 0.971 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001612786899 1072921982 /nfs/dbraw/zinc/92/19/82/1072921982.db2.gz KHJWRUDWYPKWHK-JKSUJKDBSA-N 1 0 428.603 0.971 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001612802580 1072922986 /nfs/dbraw/zinc/92/29/86/1072922986.db2.gz BISXLBHENKSZAT-INIZCTEOSA-N 1 0 441.602 0.231 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001612802581 1072922894 /nfs/dbraw/zinc/92/28/94/1072922894.db2.gz BISXLBHENKSZAT-MRXNPFEDSA-N 1 0 441.602 0.231 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612803696 1072922913 /nfs/dbraw/zinc/92/29/13/1072922913.db2.gz MGHSRMRTTPUFHV-GOSISDBHSA-N 1 0 448.616 0.358 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612803697 1072922943 /nfs/dbraw/zinc/92/29/43/1072922943.db2.gz MGHSRMRTTPUFHV-SFHVURJKSA-N 1 0 448.616 0.358 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804474 1072922970 /nfs/dbraw/zinc/92/29/70/1072922970.db2.gz AHAVIYISKZSWCW-BZUAXINKSA-N 1 0 441.602 0.287 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804475 1072922905 /nfs/dbraw/zinc/92/29/05/1072922905.db2.gz AHAVIYISKZSWCW-OAGGEKHMSA-N 1 0 441.602 0.287 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804476 1072922928 /nfs/dbraw/zinc/92/29/28/1072922928.db2.gz AHAVIYISKZSWCW-OWCLPIDISA-N 1 0 441.602 0.287 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804477 1072923001 /nfs/dbraw/zinc/92/30/01/1072923001.db2.gz AHAVIYISKZSWCW-PMPSAXMXSA-N 1 0 441.602 0.287 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804490 1072922974 /nfs/dbraw/zinc/92/29/74/1072922974.db2.gz ALECLABWXJWRGA-CVEARBPZSA-N 1 0 438.602 0.990 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612804491 1072923426 /nfs/dbraw/zinc/92/34/26/1072923426.db2.gz ALECLABWXJWRGA-HOTGVXAUSA-N 1 0 438.602 0.990 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804492 1072923375 /nfs/dbraw/zinc/92/33/75/1072923375.db2.gz ALECLABWXJWRGA-HZPDHXFCSA-N 1 0 438.602 0.990 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612804493 1072923445 /nfs/dbraw/zinc/92/34/45/1072923445.db2.gz ALECLABWXJWRGA-JKSUJKDBSA-N 1 0 438.602 0.990 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804502 1072923385 /nfs/dbraw/zinc/92/33/85/1072923385.db2.gz AQMVIJSKZSEVRA-CABCVRRESA-N 1 0 441.602 0.322 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612804503 1072923555 /nfs/dbraw/zinc/92/35/55/1072923555.db2.gz AQMVIJSKZSEVRA-GJZGRUSLSA-N 1 0 441.602 0.322 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804504 1072923520 /nfs/dbraw/zinc/92/35/20/1072923520.db2.gz AQMVIJSKZSEVRA-HUUCEWRRSA-N 1 0 441.602 0.322 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612804505 1072923413 /nfs/dbraw/zinc/92/34/13/1072923413.db2.gz AQMVIJSKZSEVRA-LSDHHAIUSA-N 1 0 441.602 0.322 20 0 ICADRO CC(C)NC(=O)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804948 1072923366 /nfs/dbraw/zinc/92/33/66/1072923366.db2.gz IFOWWRRKLJEOAN-CVEARBPZSA-N 1 0 443.618 0.581 20 0 ICADRO CC(C)NC(=O)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612804949 1072923473 /nfs/dbraw/zinc/92/34/73/1072923473.db2.gz IFOWWRRKLJEOAN-HOTGVXAUSA-N 1 0 443.618 0.581 20 0 ICADRO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612804950 1072923509 /nfs/dbraw/zinc/92/35/09/1072923509.db2.gz IFOWWRRKLJEOAN-HZPDHXFCSA-N 1 0 443.618 0.581 20 0 ICADRO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612804951 1072923346 /nfs/dbraw/zinc/92/33/46/1072923346.db2.gz IFOWWRRKLJEOAN-JKSUJKDBSA-N 1 0 443.618 0.581 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612805716 1072923320 /nfs/dbraw/zinc/92/33/20/1072923320.db2.gz WNJMECNZPAYOAG-FPCVCCKLSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001612805717 1072923484 /nfs/dbraw/zinc/92/34/84/1072923484.db2.gz WNJMECNZPAYOAG-QXSJWSMHSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612805718 1072923435 /nfs/dbraw/zinc/92/34/35/1072923435.db2.gz WNJMECNZPAYOAG-XUWVNRHRSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001612805719 1072923533 /nfs/dbraw/zinc/92/35/33/1072923533.db2.gz WNJMECNZPAYOAG-YHUYYLMFSA-N 1 0 428.559 0.182 20 0 ICADRO C[C@@H]1CCC[N@H+](CCn2c(-c3cnccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001612806222 1072923399 /nfs/dbraw/zinc/92/33/99/1072923399.db2.gz GNDLSEORJYIRBU-GOSISDBHSA-N 1 0 441.584 0.677 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c(-c3cnccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001612806223 1072923541 /nfs/dbraw/zinc/92/35/41/1072923541.db2.gz GNDLSEORJYIRBU-SFHVURJKSA-N 1 0 441.584 0.677 20 0 ICADRO C[C@H]1CCC[N@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001612806332 1072923332 /nfs/dbraw/zinc/92/33/32/1072923332.db2.gz IKMPZKLWHXKUCQ-ULQDDVLXSA-N 1 0 438.598 0.614 20 0 ICADRO 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C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001612886683 1072931120 /nfs/dbraw/zinc/93/11/20/1072931120.db2.gz PAKSFVDKZOMWJO-BTYIYWSLSA-N 1 0 429.525 0.996 20 0 ICADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001612886684 1072931131 /nfs/dbraw/zinc/93/11/31/1072931131.db2.gz PAKSFVDKZOMWJO-QVKFZJNVSA-N 1 0 429.525 0.996 20 0 ICADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001612886685 1072931210 /nfs/dbraw/zinc/93/12/10/1072931210.db2.gz PAKSFVDKZOMWJO-VFNWGFHPSA-N 1 0 429.525 0.996 20 0 ICADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001612886686 1072931232 /nfs/dbraw/zinc/93/12/32/1072931232.db2.gz PAKSFVDKZOMWJO-YCRPNKLZSA-N 1 0 429.525 0.996 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCNS(C)(=O)=O ZINC001612887139 1072931175 /nfs/dbraw/zinc/93/11/75/1072931175.db2.gz UIAXSDPNOOHKAO-HNNXBMFYSA-N 1 0 441.602 0.276 20 0 ICADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001612887140 1072931142 /nfs/dbraw/zinc/93/11/42/1072931142.db2.gz UIAXSDPNOOHKAO-OAHLLOKOSA-N 1 0 441.602 0.276 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001612895267 1072932464 /nfs/dbraw/zinc/93/24/64/1072932464.db2.gz KYBKMBOGHYAHPG-POORBHPNSA-N 1 0 444.602 0.611 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001612895268 1072932486 /nfs/dbraw/zinc/93/24/86/1072932486.db2.gz KYBKMBOGHYAHPG-SPCJURDBSA-N 1 0 444.602 0.611 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001612895269 1072932434 /nfs/dbraw/zinc/93/24/34/1072932434.db2.gz KYBKMBOGHYAHPG-WPECMILSSA-N 1 0 444.602 0.611 20 0 ICADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001612895270 1072932422 /nfs/dbraw/zinc/93/24/22/1072932422.db2.gz KYBKMBOGHYAHPG-ZHEXZJMTSA-N 1 0 444.602 0.611 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001612895450 1072932444 /nfs/dbraw/zinc/93/24/44/1072932444.db2.gz NUDOPCHMIFDGHK-IIDMSEBBSA-N 1 0 446.643 0.941 20 0 ICADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001612895451 1072932476 /nfs/dbraw/zinc/93/24/76/1072932476.db2.gz NUDOPCHMIFDGHK-RKVPGOIHSA-N 1 0 446.643 0.941 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001612895452 1072932500 /nfs/dbraw/zinc/93/25/00/1072932500.db2.gz NUDOPCHMIFDGHK-RVKKMQEKSA-N 1 0 446.643 0.941 20 0 ICADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001612895453 1072932938 /nfs/dbraw/zinc/93/29/38/1072932938.db2.gz NUDOPCHMIFDGHK-VKJFTORMSA-N 1 0 446.643 0.941 20 0 ICADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001612895840 1072933069 /nfs/dbraw/zinc/93/30/69/1072933069.db2.gz 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CC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 ZINC001613089723 1072960328 /nfs/dbraw/zinc/96/03/28/1072960328.db2.gz GWKQEAQDKUDZBP-HSZRJFAPSA-N 1 0 441.580 0.740 20 0 ICADRO CC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 ZINC001613089724 1072960330 /nfs/dbraw/zinc/96/03/30/1072960330.db2.gz GWKQEAQDKUDZBP-QHCPKHFHSA-N 1 0 441.580 0.740 20 0 ICADRO CC[C@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001613273874 1072964188 /nfs/dbraw/zinc/96/41/88/1072964188.db2.gz YAPCZSZLOTWRLT-ABSDTBQOSA-N 1 0 442.630 0.966 20 0 ICADRO CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001613273875 1072964144 /nfs/dbraw/zinc/96/41/44/1072964144.db2.gz YAPCZSZLOTWRLT-QKLQHJQFSA-N 1 0 442.630 0.966 20 0 ICADRO CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001613273876 1072964102 /nfs/dbraw/zinc/96/41/02/1072964102.db2.gz YAPCZSZLOTWRLT-SQGPQFPESA-N 1 0 442.630 0.966 20 0 ICADRO 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CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001613591409 1072983993 /nfs/dbraw/zinc/98/39/93/1072983993.db2.gz CTBFWROKSORIBJ-DLBZAZTESA-N 1 0 432.573 0.751 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001613591410 1072983978 /nfs/dbraw/zinc/98/39/78/1072983978.db2.gz CTBFWROKSORIBJ-IAGOWNOFSA-N 1 0 432.573 0.751 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001613591411 1072984114 /nfs/dbraw/zinc/98/41/14/1072984114.db2.gz CTBFWROKSORIBJ-IRXDYDNUSA-N 1 0 432.573 0.751 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001613591412 1072984047 /nfs/dbraw/zinc/98/40/47/1072984047.db2.gz CTBFWROKSORIBJ-SJORKVTESA-N 1 0 432.573 0.751 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001613591948 1072984875 /nfs/dbraw/zinc/98/48/75/1072984875.db2.gz GITTXBMJJRSWCA-KRWDZBQOSA-N 1 0 448.616 0.406 20 0 ICADRO 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CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001613592015 1072985213 /nfs/dbraw/zinc/98/52/13/1072985213.db2.gz LQWMSUOQZIWABF-LEWJYISDSA-N 1 0 449.556 0.294 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001613592016 1072985282 /nfs/dbraw/zinc/98/52/82/1072985282.db2.gz LQWMSUOQZIWABF-NHCUHLMSSA-N 1 0 449.556 0.294 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001613592018 1072985243 /nfs/dbraw/zinc/98/52/43/1072985243.db2.gz LQWMSUOQZIWABF-RTWAWAEBSA-N 1 0 449.556 0.294 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001613592020 1072985272 /nfs/dbraw/zinc/98/52/72/1072985272.db2.gz LQWMSUOQZIWABF-SFTDATJTSA-N 1 0 449.556 0.294 20 0 ICADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001613592911 1072986200 /nfs/dbraw/zinc/98/62/00/1072986200.db2.gz UBOGPKKXTJRSHL-HOTGVXAUSA-N 1 0 435.573 0.632 20 0 ICADRO 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CCC(CC)NC(=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001613603606 1072988301 /nfs/dbraw/zinc/98/83/01/1072988301.db2.gz FEQZTSCITSMVEB-HDICACEKSA-N 1 0 436.557 0.605 20 0 ICADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCC1 ZINC001613605080 1072988348 /nfs/dbraw/zinc/98/83/48/1072988348.db2.gz JEFPPQAGLYDERZ-KRWDZBQOSA-N 1 0 447.584 0.859 20 0 ICADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCC1 ZINC001613605081 1072988284 /nfs/dbraw/zinc/98/82/84/1072988284.db2.gz JEFPPQAGLYDERZ-QGZVFWFLSA-N 1 0 447.584 0.859 20 0 ICADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001613605593 1072988574 /nfs/dbraw/zinc/98/85/74/1072988574.db2.gz BZANINCLWOCMLT-KRWDZBQOSA-N 1 0 435.573 0.586 20 0 ICADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001613605594 1072988576 /nfs/dbraw/zinc/98/85/76/1072988576.db2.gz BZANINCLWOCMLT-QGZVFWFLSA-N 1 0 435.573 0.586 20 0 ICADRO 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CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCc1ccco1 ZINC001614017969 1073009596 /nfs/dbraw/zinc/00/95/96/1073009596.db2.gz ZLCMHGRAQPGFHZ-KRWDZBQOSA-N 1 0 429.525 0.493 20 0 ICADRO CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCc1ccco1 ZINC001614017970 1073009623 /nfs/dbraw/zinc/00/96/23/1073009623.db2.gz ZLCMHGRAQPGFHZ-QGZVFWFLSA-N 1 0 429.525 0.493 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001614018103 1073010164 /nfs/dbraw/zinc/01/01/64/1073010164.db2.gz DFHFODFORYXMLW-UHFFFAOYSA-N 1 0 447.628 0.943 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1CCN(C(C)=O)CC1 ZINC001614018155 1073010260 /nfs/dbraw/zinc/01/02/60/1073010260.db2.gz GFLIFVHMZHFJNW-UHFFFAOYSA-N 1 0 431.585 0.843 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001614018156 1073010316 /nfs/dbraw/zinc/01/03/16/1073010316.db2.gz GIISDZDOOFFDNL-UHFFFAOYSA-N 1 0 438.598 0.552 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001614018259 1073010439 /nfs/dbraw/zinc/01/04/39/1073010439.db2.gz KGTPWNWXVIWYCM-UHFFFAOYSA-N 1 0 440.614 0.798 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001614018287 1073010282 /nfs/dbraw/zinc/01/02/82/1073010282.db2.gz LJMFFIQTWIYHRY-PMACEKPBSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001614018288 1073010463 /nfs/dbraw/zinc/01/04/63/1073010463.db2.gz LJMFFIQTWIYHRY-UXHICEINSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001614018289 1073010798 /nfs/dbraw/zinc/01/07/98/1073010798.db2.gz LJMFFIQTWIYHRY-VQTJNVASSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001614018290 1073010764 /nfs/dbraw/zinc/01/07/64/1073010764.db2.gz LJMFFIQTWIYHRY-WOJBJXKFSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001614018330 1073011039 /nfs/dbraw/zinc/01/10/39/1073011039.db2.gz MUSCRUALULADRU-DLBZAZTESA-N 1 0 430.561 0.296 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001614018331 1073010823 /nfs/dbraw/zinc/01/08/23/1073010823.db2.gz MUSCRUALULADRU-IAGOWNOFSA-N 1 0 430.561 0.296 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001614018332 1073010734 /nfs/dbraw/zinc/01/07/34/1073010734.db2.gz MUSCRUALULADRU-IRXDYDNUSA-N 1 0 430.561 0.296 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001614018333 1073010848 /nfs/dbraw/zinc/01/08/48/1073010848.db2.gz MUSCRUALULADRU-SJORKVTESA-N 1 0 430.561 0.296 20 0 ICADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001614018379 1073010790 /nfs/dbraw/zinc/01/07/90/1073010790.db2.gz OFLFZPYOXQHUDM-UHFFFAOYSA-N 1 0 447.628 0.943 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001614018414 1073010991 /nfs/dbraw/zinc/01/09/91/1073010991.db2.gz PKEXQWCDZMKMEG-UHFFFAOYSA-N 1 0 427.553 0.978 20 0 ICADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001614018538 1073011009 /nfs/dbraw/zinc/01/10/09/1073011009.db2.gz UVJQTEGKDWMIOE-UHFFFAOYSA-N 1 0 428.541 0.373 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001614018586 1073010720 /nfs/dbraw/zinc/01/07/20/1073010720.db2.gz WZSYIAYSYGFDDY-UHFFFAOYSA-N 1 0 438.540 0.286 20 0 ICADRO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001614018587 1073010890 /nfs/dbraw/zinc/01/08/90/1073010890.db2.gz XAIZYBXQKHYHLP-UHFFFAOYSA-N 1 0 438.540 0.308 20 0 ICADRO CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614021185 1073011761 /nfs/dbraw/zinc/01/17/61/1073011761.db2.gz CTAFZPMCMMKCPL-PMACEKPBSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614021186 1073011839 /nfs/dbraw/zinc/01/18/39/1073011839.db2.gz CTAFZPMCMMKCPL-UXHICEINSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614021187 1073011956 /nfs/dbraw/zinc/01/19/56/1073011956.db2.gz CTAFZPMCMMKCPL-VQTJNVASSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614021188 1073011713 /nfs/dbraw/zinc/01/17/13/1073011713.db2.gz CTAFZPMCMMKCPL-WOJBJXKFSA-N 1 0 447.628 0.942 20 0 ICADRO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001614028790 1073012792 /nfs/dbraw/zinc/01/27/92/1073012792.db2.gz PMCKEHNTKRIYMC-KRWDZBQOSA-N 1 0 442.568 0.508 20 0 ICADRO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001614028791 1073012893 /nfs/dbraw/zinc/01/28/93/1073012893.db2.gz PMCKEHNTKRIYMC-QGZVFWFLSA-N 1 0 442.568 0.508 20 0 ICADRO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001614028918 1073013189 /nfs/dbraw/zinc/01/31/89/1073013189.db2.gz TWEJQBPPNBWFDO-UHFFFAOYSA-N 1 0 442.568 0.772 20 0 ICADRO CCc1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001614029297 1073013279 /nfs/dbraw/zinc/01/32/79/1073013279.db2.gz GFYCQQVMGBERMU-UHFFFAOYSA-N 1 0 425.537 0.778 20 0 ICADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCS(=O)(=O)NC(C)C ZINC001614029931 1073013338 /nfs/dbraw/zinc/01/33/38/1073013338.db2.gz AAWMHXXUJNBTJU-MRXNPFEDSA-N 1 0 428.603 0.858 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001614030091 1073013425 /nfs/dbraw/zinc/01/34/25/1073013425.db2.gz GZYJXGQUAORUKE-UHFFFAOYSA-N 1 0 435.617 0.940 20 0 ICADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001614030224 1073013310 /nfs/dbraw/zinc/01/33/10/1073013310.db2.gz MCCVFUOSUQHIHX-INIZCTEOSA-N 1 0 441.598 0.470 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001614030797 1073013373 /nfs/dbraw/zinc/01/33/73/1073013373.db2.gz FYFYSXQNSUPXEK-UHFFFAOYSA-N 1 0 433.601 0.697 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001614030838 1073013211 /nfs/dbraw/zinc/01/32/11/1073013211.db2.gz GZJXAFMDZPBTRA-FQEVSTJZSA-N 1 0 447.628 0.822 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001614030839 1073013404 /nfs/dbraw/zinc/01/34/04/1073013404.db2.gz GZJXAFMDZPBTRA-HXUWFJFHSA-N 1 0 447.628 0.822 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001614030905 1073013766 /nfs/dbraw/zinc/01/37/66/1073013766.db2.gz JHZSRJNACIPWDL-UHFFFAOYSA-N 1 0 448.660 0.857 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001614031398 1073013743 /nfs/dbraw/zinc/01/37/43/1073013743.db2.gz YSLNEHFJGZVYFX-IBGZPJMESA-N 1 0 433.601 0.432 20 0 ICADRO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001614031399 1073013634 /nfs/dbraw/zinc/01/36/34/1073013634.db2.gz YSLNEHFJGZVYFX-LJQANCHMSA-N 1 0 433.601 0.432 20 0 ICADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC(=O)NCC(F)F ZINC001614036555 1073014840 /nfs/dbraw/zinc/01/48/40/1073014840.db2.gz PIVSFMPXPIMBTD-INIZCTEOSA-N 1 0 443.543 0.453 20 0 ICADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC(=O)NCC(F)F ZINC001614036556 1073014924 /nfs/dbraw/zinc/01/49/24/1073014924.db2.gz PIVSFMPXPIMBTD-MRXNPFEDSA-N 1 0 443.543 0.453 20 0 ICADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001614038046 1073015947 /nfs/dbraw/zinc/01/59/47/1073015947.db2.gz UQNLKWRJAYFSHR-UHFFFAOYSA-N 1 0 437.570 0.965 20 0 ICADRO CCc1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001614038446 1073015659 /nfs/dbraw/zinc/01/56/59/1073015659.db2.gz WSSDYPMYCGPDOY-FQEVSTJZSA-N 1 0 442.564 0.750 20 0 ICADRO CCc1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001614038447 1073015879 /nfs/dbraw/zinc/01/58/79/1073015879.db2.gz WSSDYPMYCGPDOY-HXUWFJFHSA-N 1 0 442.564 0.750 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001614038507 1073015712 /nfs/dbraw/zinc/01/57/12/1073015712.db2.gz XZXGSLFLGLTBCO-INIZCTEOSA-N 1 0 436.582 0.954 20 0 ICADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001614038508 1073015797 /nfs/dbraw/zinc/01/57/97/1073015797.db2.gz XZXGSLFLGLTBCO-MRXNPFEDSA-N 1 0 436.582 0.954 20 0 ICADRO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001614038760 1073016376 /nfs/dbraw/zinc/01/63/76/1073016376.db2.gz GDPCOXIAVSIPAL-UHFFFAOYSA-N 1 0 426.587 0.567 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001614038809 1073016209 /nfs/dbraw/zinc/01/62/09/1073016209.db2.gz HPYOBRJVSMSJBT-MSOLQXFVSA-N 1 0 447.584 0.125 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001614038810 1073016186 /nfs/dbraw/zinc/01/61/86/1073016186.db2.gz HPYOBRJVSMSJBT-QZTJIDSGSA-N 1 0 447.584 0.125 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001614038811 1073016307 /nfs/dbraw/zinc/01/63/07/1073016307.db2.gz HPYOBRJVSMSJBT-ROUUACIJSA-N 1 0 447.584 0.125 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001614038812 1073016415 /nfs/dbraw/zinc/01/64/15/1073016415.db2.gz HPYOBRJVSMSJBT-ZWKOTPCHSA-N 1 0 447.584 0.125 20 0 ICADRO CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001614038964 1073016885 /nfs/dbraw/zinc/01/68/85/1073016885.db2.gz MAVCMYQMRXQQDK-DLBZAZTESA-N 1 0 428.603 0.812 20 0 ICADRO CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001614038965 1073016773 /nfs/dbraw/zinc/01/67/73/1073016773.db2.gz MAVCMYQMRXQQDK-IRXDYDNUSA-N 1 0 428.603 0.812 20 0 ICADRO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001614039331 1073017126 /nfs/dbraw/zinc/01/71/26/1073017126.db2.gz VSTJITBHVICKLL-KRWDZBQOSA-N 1 0 427.619 0.196 20 0 ICADRO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001614039332 1073017266 /nfs/dbraw/zinc/01/72/66/1073017266.db2.gz VSTJITBHVICKLL-QGZVFWFLSA-N 1 0 427.619 0.196 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001614039345 1073017236 /nfs/dbraw/zinc/01/72/36/1073017236.db2.gz WESWHTUSLWGSGK-IBGZPJMESA-N 1 0 439.564 0.876 20 0 ICADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001614039346 1073017159 /nfs/dbraw/zinc/01/71/59/1073017159.db2.gz WESWHTUSLWGSGK-LJQANCHMSA-N 1 0 439.564 0.876 20 0 ICADRO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001614039502 1073017068 /nfs/dbraw/zinc/01/70/68/1073017068.db2.gz ZNPZMNZJDAWFOK-UHFFFAOYSA-N 1 0 445.572 0.182 20 0 ICADRO CCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614039884 1073017709 /nfs/dbraw/zinc/01/77/09/1073017709.db2.gz IDVWBMGIKBKSIP-HRAATJIYSA-N 1 0 433.557 0.814 20 0 ICADRO CCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614039885 1073017878 /nfs/dbraw/zinc/01/78/78/1073017878.db2.gz IDVWBMGIKBKSIP-IERDGZPVSA-N 1 0 433.557 0.814 20 0 ICADRO CCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614039886 1073017960 /nfs/dbraw/zinc/01/79/60/1073017960.db2.gz IDVWBMGIKBKSIP-IIBYNOLFSA-N 1 0 433.557 0.814 20 0 ICADRO CCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614039887 1073017848 /nfs/dbraw/zinc/01/78/48/1073017848.db2.gz IDVWBMGIKBKSIP-KKSFZXQISA-N 1 0 433.557 0.814 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001614039900 1073017820 /nfs/dbraw/zinc/01/78/20/1073017820.db2.gz INPSSCJGGNFXSJ-DLBZAZTESA-N 1 0 433.557 0.550 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001614039901 1073017990 /nfs/dbraw/zinc/01/79/90/1073017990.db2.gz INPSSCJGGNFXSJ-IAGOWNOFSA-N 1 0 433.557 0.550 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001614039902 1073017941 /nfs/dbraw/zinc/01/79/41/1073017941.db2.gz INPSSCJGGNFXSJ-IRXDYDNUSA-N 1 0 433.557 0.550 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001614039903 1073017663 /nfs/dbraw/zinc/01/76/63/1073017663.db2.gz INPSSCJGGNFXSJ-SJORKVTESA-N 1 0 433.557 0.550 20 0 ICADRO CCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001614040050 1073017755 /nfs/dbraw/zinc/01/77/55/1073017755.db2.gz LPRWZLUJFWVQPL-INIZCTEOSA-N 1 0 428.628 0.894 20 0 ICADRO CCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001614040051 1073018022 /nfs/dbraw/zinc/01/80/22/1073018022.db2.gz LPRWZLUJFWVQPL-MRXNPFEDSA-N 1 0 428.628 0.894 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001614040116 1073017687 /nfs/dbraw/zinc/01/76/87/1073017687.db2.gz NHUQUHQLQUKLDS-GOSISDBHSA-N 1 0 446.600 0.587 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001614040117 1073017925 /nfs/dbraw/zinc/01/79/25/1073017925.db2.gz NHUQUHQLQUKLDS-SFHVURJKSA-N 1 0 446.600 0.587 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001614040204 1073017954 /nfs/dbraw/zinc/01/79/54/1073017954.db2.gz PGAHJAMEIVTSKB-INIZCTEOSA-N 1 0 433.557 0.549 20 0 ICADRO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001614040205 1073017839 /nfs/dbraw/zinc/01/78/39/1073017839.db2.gz PGAHJAMEIVTSKB-MRXNPFEDSA-N 1 0 433.557 0.549 20 0 ICADRO CCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001614040421 1073018340 /nfs/dbraw/zinc/01/83/40/1073018340.db2.gz VDNXALPCSRVYGH-GOSISDBHSA-N 1 0 425.537 0.778 20 0 ICADRO CCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001614040422 1073018420 /nfs/dbraw/zinc/01/84/20/1073018420.db2.gz VDNXALPCSRVYGH-SFHVURJKSA-N 1 0 425.537 0.778 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[NH+]1CCN(CC)CC1 ZINC001614066416 1073019990 /nfs/dbraw/zinc/01/99/90/1073019990.db2.gz VXICZHJPZHBRQM-GOSISDBHSA-N 1 0 448.616 0.549 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[NH+]1CCN(CC)CC1 ZINC001614066417 1073020034 /nfs/dbraw/zinc/02/00/34/1073020034.db2.gz VXICZHJPZHBRQM-SFHVURJKSA-N 1 0 448.616 0.549 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+]1CC ZINC001614067054 1073020385 /nfs/dbraw/zinc/02/03/85/1073020385.db2.gz HLRMXPPWXYDMEE-QLFBSQMISA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+]1CC ZINC001614067055 1073020439 /nfs/dbraw/zinc/02/04/39/1073020439.db2.gz HLRMXPPWXYDMEE-RBSFLKMASA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+]1CC ZINC001614067056 1073020406 /nfs/dbraw/zinc/02/04/06/1073020406.db2.gz HLRMXPPWXYDMEE-RRFJBIMHSA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+]1CC ZINC001614067057 1073020350 /nfs/dbraw/zinc/02/03/50/1073020350.db2.gz HLRMXPPWXYDMEE-SOUVJXGZSA-N 1 0 427.575 0.087 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC[NH+]1CCSCC1 ZINC001614067312 1073020864 /nfs/dbraw/zinc/02/08/64/1073020864.db2.gz LFCKMBDWQBOEHU-CVEARBPZSA-N 1 0 426.587 0.766 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC[NH+]1CCSCC1 ZINC001614067313 1073020781 /nfs/dbraw/zinc/02/07/81/1073020781.db2.gz LFCKMBDWQBOEHU-HOTGVXAUSA-N 1 0 426.587 0.766 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC[NH+]1CCSCC1 ZINC001614067314 1073020726 /nfs/dbraw/zinc/02/07/26/1073020726.db2.gz LFCKMBDWQBOEHU-HZPDHXFCSA-N 1 0 426.587 0.766 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC[NH+]1CCSCC1 ZINC001614067315 1073020882 /nfs/dbraw/zinc/02/08/82/1073020882.db2.gz LFCKMBDWQBOEHU-JKSUJKDBSA-N 1 0 426.587 0.766 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614072251 1073021550 /nfs/dbraw/zinc/02/15/50/1073021550.db2.gz DHNUOVWOGHHGGT-MSOLQXFVSA-N 1 0 442.568 0.931 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614072252 1073021497 /nfs/dbraw/zinc/02/14/97/1073021497.db2.gz DHNUOVWOGHHGGT-QZTJIDSGSA-N 1 0 442.568 0.931 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614072253 1073021621 /nfs/dbraw/zinc/02/16/21/1073021621.db2.gz DHNUOVWOGHHGGT-ROUUACIJSA-N 1 0 442.568 0.931 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614072254 1073021589 /nfs/dbraw/zinc/02/15/89/1073021589.db2.gz DHNUOVWOGHHGGT-ZWKOTPCHSA-N 1 0 442.568 0.931 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001614073525 1073022061 /nfs/dbraw/zinc/02/20/61/1073022061.db2.gz DZPSMPOEXCZTQD-BRWVUGGUSA-N 1 0 433.557 0.301 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001614073526 1073022124 /nfs/dbraw/zinc/02/21/24/1073022124.db2.gz DZPSMPOEXCZTQD-GVDBMIGSSA-N 1 0 433.557 0.301 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001614073527 1073021936 /nfs/dbraw/zinc/02/19/36/1073021936.db2.gz DZPSMPOEXCZTQD-IXDOHACOSA-N 1 0 433.557 0.301 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001614073528 1073022000 /nfs/dbraw/zinc/02/20/00/1073022000.db2.gz DZPSMPOEXCZTQD-YESZJQIVSA-N 1 0 433.557 0.301 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001614074005 1073022028 /nfs/dbraw/zinc/02/20/28/1073022028.db2.gz NLPMVRNUZNZQMJ-JFIYKMOQSA-N 1 0 428.541 0.949 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001614074006 1073022109 /nfs/dbraw/zinc/02/21/09/1073022109.db2.gz NLPMVRNUZNZQMJ-JZXOWHBKSA-N 1 0 428.541 0.949 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001614074007 1073021965 /nfs/dbraw/zinc/02/19/65/1073021965.db2.gz NLPMVRNUZNZQMJ-SOLBZPMBSA-N 1 0 428.541 0.949 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001614074008 1073022042 /nfs/dbraw/zinc/02/20/42/1073022042.db2.gz NLPMVRNUZNZQMJ-XYJFISCASA-N 1 0 428.541 0.949 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCN(CC)CC1 ZINC001614074126 1073021923 /nfs/dbraw/zinc/02/19/23/1073021923.db2.gz OYZIWVVGWGPNJG-GOSISDBHSA-N 1 0 429.573 0.421 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCN(CC)CC1 ZINC001614074127 1073022133 /nfs/dbraw/zinc/02/21/33/1073022133.db2.gz OYZIWVVGWGPNJG-SFHVURJKSA-N 1 0 429.573 0.421 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001614074282 1073022572 /nfs/dbraw/zinc/02/25/72/1073022572.db2.gz SPYVHMFYBSCNQI-AEFFLSMTSA-N 1 0 428.541 0.807 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001614074283 1073022342 /nfs/dbraw/zinc/02/23/42/1073022342.db2.gz SPYVHMFYBSCNQI-FUHWJXTLSA-N 1 0 428.541 0.807 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001614074284 1073022391 /nfs/dbraw/zinc/02/23/91/1073022391.db2.gz SPYVHMFYBSCNQI-SJLPKXTDSA-N 1 0 428.541 0.807 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001614074285 1073022496 /nfs/dbraw/zinc/02/24/96/1073022496.db2.gz SPYVHMFYBSCNQI-WMZOPIPTSA-N 1 0 428.541 0.807 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001614074468 1073022425 /nfs/dbraw/zinc/02/24/25/1073022425.db2.gz WPMAECOKQSQAKP-IBGZPJMESA-N 1 0 443.600 0.811 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001614074469 1073022640 /nfs/dbraw/zinc/02/26/40/1073022640.db2.gz WPMAECOKQSQAKP-LJQANCHMSA-N 1 0 443.600 0.811 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001614074630 1073022448 /nfs/dbraw/zinc/02/24/48/1073022448.db2.gz ZLSGWYYNUDQXFQ-DLBZAZTESA-N 1 0 447.584 0.833 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001614074631 1073022621 /nfs/dbraw/zinc/02/26/21/1073022621.db2.gz ZLSGWYYNUDQXFQ-IAGOWNOFSA-N 1 0 447.584 0.833 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001614074632 1073022545 /nfs/dbraw/zinc/02/25/45/1073022545.db2.gz ZLSGWYYNUDQXFQ-IRXDYDNUSA-N 1 0 447.584 0.833 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001614074633 1073022379 /nfs/dbraw/zinc/02/23/79/1073022379.db2.gz ZLSGWYYNUDQXFQ-SJORKVTESA-N 1 0 447.584 0.833 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001614074728 1073023021 /nfs/dbraw/zinc/02/30/21/1073023021.db2.gz AXJAYSQBCHAQGB-CVEARBPZSA-N 1 0 438.598 0.769 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001614074729 1073022886 /nfs/dbraw/zinc/02/28/86/1073022886.db2.gz AXJAYSQBCHAQGB-HOTGVXAUSA-N 1 0 438.598 0.769 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001614074730 1073022915 /nfs/dbraw/zinc/02/29/15/1073022915.db2.gz AXJAYSQBCHAQGB-HZPDHXFCSA-N 1 0 438.598 0.769 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001614074731 1073022979 /nfs/dbraw/zinc/02/29/79/1073022979.db2.gz AXJAYSQBCHAQGB-JKSUJKDBSA-N 1 0 438.598 0.769 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614075750 1073023197 /nfs/dbraw/zinc/02/31/97/1073023197.db2.gz MNFBSUPQLUFPKO-KSZLIROESA-N 1 0 447.584 0.440 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614075751 1073023320 /nfs/dbraw/zinc/02/33/20/1073023320.db2.gz MNFBSUPQLUFPKO-KURKYZTESA-N 1 0 447.584 0.440 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614075752 1073023241 /nfs/dbraw/zinc/02/32/41/1073023241.db2.gz MNFBSUPQLUFPKO-KZNAEPCWSA-N 1 0 447.584 0.440 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614075753 1073023150 /nfs/dbraw/zinc/02/31/50/1073023150.db2.gz MNFBSUPQLUFPKO-RCCFBDPRSA-N 1 0 447.584 0.440 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C(C)C ZINC001614076842 1073023765 /nfs/dbraw/zinc/02/37/65/1073023765.db2.gz VDDOYMVBUKQYJU-CVEARBPZSA-N 1 0 426.587 0.625 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C(C)C ZINC001614076844 1073023656 /nfs/dbraw/zinc/02/36/56/1073023656.db2.gz VDDOYMVBUKQYJU-HOTGVXAUSA-N 1 0 426.587 0.625 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C(C)C ZINC001614076845 1073023824 /nfs/dbraw/zinc/02/38/24/1073023824.db2.gz VDDOYMVBUKQYJU-HZPDHXFCSA-N 1 0 426.587 0.625 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C(C)C ZINC001614076847 1073023700 /nfs/dbraw/zinc/02/37/00/1073023700.db2.gz VDDOYMVBUKQYJU-JKSUJKDBSA-N 1 0 426.587 0.625 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001614078310 1073024478 /nfs/dbraw/zinc/02/44/78/1073024478.db2.gz MYPWZRDWBPVLBH-MOPGFXCFSA-N 1 0 427.553 0.826 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001614078311 1073024589 /nfs/dbraw/zinc/02/45/89/1073024589.db2.gz MYPWZRDWBPVLBH-OALUTQOASA-N 1 0 427.553 0.826 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001614078312 1073024668 /nfs/dbraw/zinc/02/46/68/1073024668.db2.gz MYPWZRDWBPVLBH-RBUKOAKNSA-N 1 0 427.553 0.826 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001614078313 1073024575 /nfs/dbraw/zinc/02/45/75/1073024575.db2.gz MYPWZRDWBPVLBH-RTBURBONSA-N 1 0 427.553 0.826 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614078690 1073024709 /nfs/dbraw/zinc/02/47/09/1073024709.db2.gz VVRGGEKXWPAQNR-MSOLQXFVSA-N 1 0 431.585 0.888 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614078691 1073024515 /nfs/dbraw/zinc/02/45/15/1073024515.db2.gz VVRGGEKXWPAQNR-QZTJIDSGSA-N 1 0 431.585 0.888 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614078692 1073024424 /nfs/dbraw/zinc/02/44/24/1073024424.db2.gz VVRGGEKXWPAQNR-ROUUACIJSA-N 1 0 431.585 0.888 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614078693 1073024616 /nfs/dbraw/zinc/02/46/16/1073024616.db2.gz VVRGGEKXWPAQNR-ZWKOTPCHSA-N 1 0 431.585 0.888 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[NH+]1CCOCC1 ZINC001614080808 1073025561 /nfs/dbraw/zinc/02/55/61/1073025561.db2.gz SZVJIAOGIUFJRB-IBGZPJMESA-N 1 0 444.584 0.967 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[NH+]1CCOCC1 ZINC001614080809 1073025666 /nfs/dbraw/zinc/02/56/66/1073025666.db2.gz SZVJIAOGIUFJRB-LJQANCHMSA-N 1 0 444.584 0.967 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001614081396 1073026139 /nfs/dbraw/zinc/02/61/39/1073026139.db2.gz ZSCNCLLRISLGBE-MSOLQXFVSA-N 1 0 447.584 0.616 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001614081397 1073025965 /nfs/dbraw/zinc/02/59/65/1073025965.db2.gz ZSCNCLLRISLGBE-QZTJIDSGSA-N 1 0 447.584 0.616 20 0 ICADRO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001614081398 1073026085 /nfs/dbraw/zinc/02/60/85/1073026085.db2.gz ZSCNCLLRISLGBE-ROUUACIJSA-N 1 0 447.584 0.616 20 0 ICADRO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001614081399 1073025925 /nfs/dbraw/zinc/02/59/25/1073025925.db2.gz ZSCNCLLRISLGBE-ZWKOTPCHSA-N 1 0 447.584 0.616 20 0 ICADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139251 1073027586 /nfs/dbraw/zinc/02/75/86/1073027586.db2.gz CCLUQVAJBXVCLV-BRSBDYLESA-N 1 0 448.568 0.854 20 0 ICADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139252 1073027622 /nfs/dbraw/zinc/02/76/22/1073027622.db2.gz CCLUQVAJBXVCLV-VSZNYVQBSA-N 1 0 448.568 0.854 20 0 ICADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139253 1073027811 /nfs/dbraw/zinc/02/78/11/1073027811.db2.gz CCLUQVAJBXVCLV-XMTFNYHQSA-N 1 0 448.568 0.854 20 0 ICADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139254 1073027727 /nfs/dbraw/zinc/02/77/27/1073027727.db2.gz CCLUQVAJBXVCLV-ZJPYXAASSA-N 1 0 448.568 0.854 20 0 ICADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC[N@@H+]1CCOC ZINC001614197491 1073029713 /nfs/dbraw/zinc/02/97/13/1073029713.db2.gz PCUJMDPUKYVYLU-HTAPYJJXSA-N 1 0 447.584 0.539 20 0 ICADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)CC[N@@H+]1CCOC ZINC001614197492 1073029639 /nfs/dbraw/zinc/02/96/39/1073029639.db2.gz PCUJMDPUKYVYLU-JTSKRJEESA-N 1 0 447.584 0.539 20 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CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001614205462 1073030877 /nfs/dbraw/zinc/03/08/77/1073030877.db2.gz INZOFVMXQMZYEH-IAGOWNOFSA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001614205463 1073030975 /nfs/dbraw/zinc/03/09/75/1073030975.db2.gz INZOFVMXQMZYEH-IRXDYDNUSA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001614205464 1073030991 /nfs/dbraw/zinc/03/09/91/1073030991.db2.gz INZOFVMXQMZYEH-SJORKVTESA-N 1 0 444.602 0.616 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001614230002 1073031430 /nfs/dbraw/zinc/03/14/30/1073031430.db2.gz FBEBFMYBPAAFHH-AZUAARDMSA-N 1 0 446.600 0.946 20 0 ICADRO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001614230003 1073031943 /nfs/dbraw/zinc/03/19/43/1073031943.db2.gz FBEBFMYBPAAFHH-ICSRJNTNSA-N 1 0 446.600 0.946 20 0 ICADRO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001614230004 1073031887 /nfs/dbraw/zinc/03/18/87/1073031887.db2.gz FBEBFMYBPAAFHH-QUCCMNQESA-N 1 0 446.600 0.946 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001614230005 1073031583 /nfs/dbraw/zinc/03/15/83/1073031583.db2.gz FBEBFMYBPAAFHH-UYAOXDASSA-N 1 0 446.600 0.946 20 0 ICADRO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614230446 1073031345 /nfs/dbraw/zinc/03/13/45/1073031345.db2.gz MRFFVPXVDMEGHI-INIZCTEOSA-N 1 0 439.586 0.712 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614230447 1073031729 /nfs/dbraw/zinc/03/17/29/1073031729.db2.gz MRFFVPXVDMEGHI-MRXNPFEDSA-N 1 0 439.586 0.712 20 0 ICADRO CC[C@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1CCOC ZINC001614233743 1073032763 /nfs/dbraw/zinc/03/27/63/1073032763.db2.gz SPGPXXSWBKBLTN-AEFFLSMTSA-N 1 0 440.614 0.984 20 0 ICADRO CC[C@@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1CCOC ZINC001614233744 1073032659 /nfs/dbraw/zinc/03/26/59/1073032659.db2.gz SPGPXXSWBKBLTN-FUHWJXTLSA-N 1 0 440.614 0.984 20 0 ICADRO CC[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1CCOC ZINC001614233745 1073032454 /nfs/dbraw/zinc/03/24/54/1073032454.db2.gz SPGPXXSWBKBLTN-SJLPKXTDSA-N 1 0 440.614 0.984 20 0 ICADRO CC[C@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1CCOC ZINC001614233746 1073032331 /nfs/dbraw/zinc/03/23/31/1073032331.db2.gz SPGPXXSWBKBLTN-WMZOPIPTSA-N 1 0 440.614 0.984 20 0 ICADRO CC[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614233973 1073032732 /nfs/dbraw/zinc/03/27/32/1073032732.db2.gz WMNGWYAUNQDHKR-HNNXBMFYSA-N 1 0 447.540 0.641 20 0 ICADRO CC[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614233974 1073032710 /nfs/dbraw/zinc/03/27/10/1073032710.db2.gz WMNGWYAUNQDHKR-OAHLLOKOSA-N 1 0 447.540 0.641 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001614235161 1073032376 /nfs/dbraw/zinc/03/23/76/1073032376.db2.gz IQFJKYMEUCFRDL-GUDVDZBRSA-N 1 0 449.600 0.497 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001614235162 1073032265 /nfs/dbraw/zinc/03/22/65/1073032265.db2.gz IQFJKYMEUCFRDL-IPMKNSEASA-N 1 0 449.600 0.497 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001614235163 1073032514 /nfs/dbraw/zinc/03/25/14/1073032514.db2.gz IQFJKYMEUCFRDL-OTWHNJEPSA-N 1 0 449.600 0.497 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001614235164 1073032587 /nfs/dbraw/zinc/03/25/87/1073032587.db2.gz IQFJKYMEUCFRDL-QRVBRYPASA-N 1 0 449.600 0.497 20 0 ICADRO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614235179 1073032685 /nfs/dbraw/zinc/03/26/85/1073032685.db2.gz IWWTXKUDWBZLHA-KBPBESRZSA-N 1 0 443.499 0.158 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614235180 1073032978 /nfs/dbraw/zinc/03/29/78/1073032978.db2.gz IWWTXKUDWBZLHA-KGLIPLIRSA-N 1 0 443.499 0.158 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614235181 1073033298 /nfs/dbraw/zinc/03/32/98/1073033298.db2.gz IWWTXKUDWBZLHA-UONOGXRCSA-N 1 0 443.499 0.158 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614235182 1073033355 /nfs/dbraw/zinc/03/33/55/1073033355.db2.gz IWWTXKUDWBZLHA-ZIAGYGMSSA-N 1 0 443.499 0.158 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001614235887 1073033130 /nfs/dbraw/zinc/03/31/30/1073033130.db2.gz RTUURRZCTDMTRU-FGTMMUONSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001614235888 1073033253 /nfs/dbraw/zinc/03/32/53/1073033253.db2.gz RTUURRZCTDMTRU-KURKYZTESA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001614235889 1073033023 /nfs/dbraw/zinc/03/30/23/1073033023.db2.gz RTUURRZCTDMTRU-KZNAEPCWSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001614235890 1073032999 /nfs/dbraw/zinc/03/29/99/1073032999.db2.gz RTUURRZCTDMTRU-SQNIBIBYSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614235989 1073033038 /nfs/dbraw/zinc/03/30/38/1073033038.db2.gz UELAKWZEMPHEBM-DLBZAZTESA-N 1 0 435.573 0.645 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614235990 1073033088 /nfs/dbraw/zinc/03/30/88/1073033088.db2.gz UELAKWZEMPHEBM-IAGOWNOFSA-N 1 0 435.573 0.645 20 0 ICADRO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614235991 1073033195 /nfs/dbraw/zinc/03/31/95/1073033195.db2.gz UELAKWZEMPHEBM-IRXDYDNUSA-N 1 0 435.573 0.645 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001614235992 1073033329 /nfs/dbraw/zinc/03/33/29/1073033329.db2.gz UELAKWZEMPHEBM-SJORKVTESA-N 1 0 435.573 0.645 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001614236069 1073033068 /nfs/dbraw/zinc/03/30/68/1073033068.db2.gz VIISSTZUXRPOFY-CBGDNZLLSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001614236070 1073033939 /nfs/dbraw/zinc/03/39/39/1073033939.db2.gz VIISSTZUXRPOFY-LLGFUMIMSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001614236071 1073033808 /nfs/dbraw/zinc/03/38/08/1073033808.db2.gz VIISSTZUXRPOFY-LZJOCLMNSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001614236072 1073033629 /nfs/dbraw/zinc/03/36/29/1073033629.db2.gz VIISSTZUXRPOFY-WWMYMODYSA-N 1 0 436.557 0.582 20 0 ICADRO CC[C@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001614236403 1073033709 /nfs/dbraw/zinc/03/37/09/1073033709.db2.gz YGHFPYPLSQSFHN-FQEVSTJZSA-N 1 0 433.601 0.867 20 0 ICADRO CC[C@@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001614236407 1073033656 /nfs/dbraw/zinc/03/36/56/1073033656.db2.gz YGHFPYPLSQSFHN-HXUWFJFHSA-N 1 0 433.601 0.867 20 0 ICADRO CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614241605 1073034010 /nfs/dbraw/zinc/03/40/10/1073034010.db2.gz KGRGMKADYSJXSY-CABCVRRESA-N 1 0 430.500 0.710 20 0 ICADRO CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614241606 1073033882 /nfs/dbraw/zinc/03/38/82/1073033882.db2.gz KGRGMKADYSJXSY-GJZGRUSLSA-N 1 0 430.500 0.710 20 0 ICADRO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@@H+]1CCOC ZINC001614241607 1073033588 /nfs/dbraw/zinc/03/35/88/1073033588.db2.gz KGRGMKADYSJXSY-HUUCEWRRSA-N 1 0 430.500 0.710 20 0 ICADRO 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CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001614829991 1073055163 /nfs/dbraw/zinc/05/51/63/1073055163.db2.gz CZIUBINYSYABAT-RTBURBONSA-N 1 0 447.584 0.693 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001614830507 1073055109 /nfs/dbraw/zinc/05/51/09/1073055109.db2.gz LUNVHYNDQTYPKL-KRWDZBQOSA-N 1 0 430.557 0.706 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001614830511 1073055190 /nfs/dbraw/zinc/05/51/90/1073055190.db2.gz LUNVHYNDQTYPKL-QGZVFWFLSA-N 1 0 430.557 0.706 20 0 ICADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001614830902 1073055016 /nfs/dbraw/zinc/05/50/16/1073055016.db2.gz OXZNOJXYTQLHDZ-INIZCTEOSA-N 1 0 426.587 0.832 20 0 ICADRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001614830909 1073055179 /nfs/dbraw/zinc/05/51/79/1073055179.db2.gz OXZNOJXYTQLHDZ-MRXNPFEDSA-N 1 0 426.587 0.832 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001614831809 1073055216 /nfs/dbraw/zinc/05/52/16/1073055216.db2.gz HRRAKQZTKAXNGE-DLBZAZTESA-N 1 0 426.587 0.596 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001614831812 1073055037 /nfs/dbraw/zinc/05/50/37/1073055037.db2.gz HRRAKQZTKAXNGE-IAGOWNOFSA-N 1 0 426.587 0.596 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001614831813 1073055256 /nfs/dbraw/zinc/05/52/56/1073055256.db2.gz HRRAKQZTKAXNGE-IRXDYDNUSA-N 1 0 426.587 0.596 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001614831814 1073055239 /nfs/dbraw/zinc/05/52/39/1073055239.db2.gz HRRAKQZTKAXNGE-SJORKVTESA-N 1 0 426.587 0.596 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001614831862 1073055061 /nfs/dbraw/zinc/05/50/61/1073055061.db2.gz WYFAZBICMZTIBP-DLBZAZTESA-N 1 0 448.597 0.937 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001614831866 1073054967 /nfs/dbraw/zinc/05/49/67/1073054967.db2.gz WYFAZBICMZTIBP-IRXDYDNUSA-N 1 0 448.597 0.937 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001614831983 1073055641 /nfs/dbraw/zinc/05/56/41/1073055641.db2.gz YDLZAVVLTFRIQJ-KRWDZBQOSA-N 1 0 428.541 0.762 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001614831984 1073055616 /nfs/dbraw/zinc/05/56/16/1073055616.db2.gz YDLZAVVLTFRIQJ-QGZVFWFLSA-N 1 0 428.541 0.762 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833122 1073055824 /nfs/dbraw/zinc/05/58/24/1073055824.db2.gz SDESOTLBEDQYJS-DLBZAZTESA-N 1 0 444.602 0.426 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833123 1073055571 /nfs/dbraw/zinc/05/55/71/1073055571.db2.gz SDESOTLBEDQYJS-IAGOWNOFSA-N 1 0 444.602 0.426 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833124 1073055589 /nfs/dbraw/zinc/05/55/89/1073055589.db2.gz SDESOTLBEDQYJS-IRXDYDNUSA-N 1 0 444.602 0.426 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833125 1073055675 /nfs/dbraw/zinc/05/56/75/1073055675.db2.gz SDESOTLBEDQYJS-SJORKVTESA-N 1 0 444.602 0.426 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001614833313 1073055689 /nfs/dbraw/zinc/05/56/89/1073055689.db2.gz WQCFGQWQQACEPG-IKGGRYGDSA-N 1 0 438.598 0.579 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001614833314 1073055755 /nfs/dbraw/zinc/05/57/55/1073055755.db2.gz WQCFGQWQQACEPG-IXDOHACOSA-N 1 0 438.598 0.579 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001614833315 1073055549 /nfs/dbraw/zinc/05/55/49/1073055549.db2.gz WQCFGQWQQACEPG-ULQDDVLXSA-N 1 0 438.598 0.579 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001614833316 1073055504 /nfs/dbraw/zinc/05/55/04/1073055504.db2.gz WQCFGQWQQACEPG-YESZJQIVSA-N 1 0 438.598 0.579 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001614833966 1073055534 /nfs/dbraw/zinc/05/55/34/1073055534.db2.gz BZCCBXCOZQHLMS-GOSISDBHSA-N 1 0 444.588 0.544 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001614833967 1073055630 /nfs/dbraw/zinc/05/56/30/1073055630.db2.gz BZCCBXCOZQHLMS-SFHVURJKSA-N 1 0 444.588 0.544 20 0 ICADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001614837761 1073055605 /nfs/dbraw/zinc/05/56/05/1073055605.db2.gz QNAKJVWCXKGAOS-UHFFFAOYSA-N 1 0 446.600 0.984 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCN2CCOCC2)C1 ZINC001614837945 1073055650 /nfs/dbraw/zinc/05/56/50/1073055650.db2.gz SVFQICBQZXHOBU-IBGZPJMESA-N 1 0 433.601 0.901 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCN2CCOCC2)C1 ZINC001614837946 1073055780 /nfs/dbraw/zinc/05/57/80/1073055780.db2.gz SVFQICBQZXHOBU-LJQANCHMSA-N 1 0 433.601 0.901 20 0 ICADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001614838290 1073055581 /nfs/dbraw/zinc/05/55/81/1073055581.db2.gz ZXUAHSWUPZHBRA-GOSISDBHSA-N 1 0 447.584 0.474 20 0 ICADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001614838291 1073055747 /nfs/dbraw/zinc/05/57/47/1073055747.db2.gz ZXUAHSWUPZHBRA-SFHVURJKSA-N 1 0 447.584 0.474 20 0 ICADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001614843242 1073055721 /nfs/dbraw/zinc/05/57/21/1073055721.db2.gz BBMIOYNHNJGAMK-BZSNNMDCSA-N 1 0 441.598 0.969 20 0 ICADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001614843244 1073056075 /nfs/dbraw/zinc/05/60/75/1073056075.db2.gz BBMIOYNHNJGAMK-SQNIBIBYSA-N 1 0 441.598 0.969 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)CC1 ZINC001614843467 1073056101 /nfs/dbraw/zinc/05/61/01/1073056101.db2.gz CBPOOVTYZYFPTA-UHFFFAOYSA-N 1 0 447.584 0.684 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001614845116 1073056110 /nfs/dbraw/zinc/05/61/10/1073056110.db2.gz YZFHAAQXSSELHE-INIZCTEOSA-N 1 0 448.572 0.715 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccn(C)n2)CC1 ZINC001614845826 1073056186 /nfs/dbraw/zinc/05/61/86/1073056186.db2.gz JJTJAKUMPUVODD-HNNXBMFYSA-N 1 0 438.602 0.981 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccn(C)n2)CC1 ZINC001614845827 1073056123 /nfs/dbraw/zinc/05/61/23/1073056123.db2.gz JJTJAKUMPUVODD-OAHLLOKOSA-N 1 0 438.602 0.981 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cncn2)CC1 ZINC001614846013 1073056155 /nfs/dbraw/zinc/05/61/55/1073056155.db2.gz OJYFHRJLSJBXKH-HNNXBMFYSA-N 1 0 439.590 0.491 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cncn2)CC1 ZINC001614846014 1073056160 /nfs/dbraw/zinc/05/61/60/1073056160.db2.gz OJYFHRJLSJBXKH-OAHLLOKOSA-N 1 0 439.590 0.491 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001614851068 1073056067 /nfs/dbraw/zinc/05/60/67/1073056067.db2.gz YSGKXTXCGSAAES-FQEVSTJZSA-N 1 0 449.581 0.595 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001614851069 1073056170 /nfs/dbraw/zinc/05/61/70/1073056170.db2.gz YSGKXTXCGSAAES-HXUWFJFHSA-N 1 0 449.581 0.595 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCNS(C)(=O)=O)CC1 ZINC001614851694 1073056092 /nfs/dbraw/zinc/05/60/92/1073056092.db2.gz LDJFKHYFUXTNPG-INIZCTEOSA-N 1 0 441.602 0.479 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCCNS(C)(=O)=O)CC1 ZINC001614851695 1073056149 /nfs/dbraw/zinc/05/61/49/1073056149.db2.gz LDJFKHYFUXTNPG-MRXNPFEDSA-N 1 0 441.602 0.479 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001614852032 1073056164 /nfs/dbraw/zinc/05/61/64/1073056164.db2.gz RIAUCPRGSZJAID-DOTOQJQBSA-N 1 0 438.598 0.975 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001614852033 1073056598 /nfs/dbraw/zinc/05/65/98/1073056598.db2.gz RIAUCPRGSZJAID-NVXWUHKLSA-N 1 0 438.598 0.975 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001614852034 1073056551 /nfs/dbraw/zinc/05/65/51/1073056551.db2.gz RIAUCPRGSZJAID-RDJZCZTQSA-N 1 0 438.598 0.975 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001614852035 1073056703 /nfs/dbraw/zinc/05/67/03/1073056703.db2.gz RIAUCPRGSZJAID-WBVHZDCISA-N 1 0 438.598 0.975 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001614853617 1073056464 /nfs/dbraw/zinc/05/64/64/1073056464.db2.gz WMYLEZNEGLKJNZ-JXFKEZNVSA-N 1 0 441.598 0.642 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001614853618 1073056712 /nfs/dbraw/zinc/05/67/12/1073056712.db2.gz WMYLEZNEGLKJNZ-OXJNMPFZSA-N 1 0 441.598 0.642 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001614853619 1073056570 /nfs/dbraw/zinc/05/65/70/1073056570.db2.gz WMYLEZNEGLKJNZ-OXQOHEQNSA-N 1 0 441.598 0.642 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001614853621 1073056563 /nfs/dbraw/zinc/05/65/63/1073056563.db2.gz WMYLEZNEGLKJNZ-UZLBHIALSA-N 1 0 441.598 0.642 20 0 ICADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)CC1 ZINC001614855147 1073056515 /nfs/dbraw/zinc/05/65/15/1073056515.db2.gz MECFJSDBIWSONV-UHFFFAOYSA-N 1 0 447.584 0.570 20 0 ICADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001614855973 1073056649 /nfs/dbraw/zinc/05/66/49/1073056649.db2.gz ACJGKGACHILVBG-DLBZAZTESA-N 1 0 435.573 0.632 20 0 ICADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001614855974 1073056639 /nfs/dbraw/zinc/05/66/39/1073056639.db2.gz ACJGKGACHILVBG-IAGOWNOFSA-N 1 0 435.573 0.632 20 0 ICADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001614855975 1073056418 /nfs/dbraw/zinc/05/64/18/1073056418.db2.gz ACJGKGACHILVBG-IRXDYDNUSA-N 1 0 435.573 0.632 20 0 ICADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001614855976 1073056575 /nfs/dbraw/zinc/05/65/75/1073056575.db2.gz ACJGKGACHILVBG-SJORKVTESA-N 1 0 435.573 0.632 20 0 ICADRO O=C(CN1C(=O)N2CCCC[C@H]2CS1(=O)=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001614860854 1073056608 /nfs/dbraw/zinc/05/66/08/1073056608.db2.gz HTRNQZVEOLFZET-KRWDZBQOSA-N 1 0 442.582 0.758 20 0 ICADRO O=C(CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001614860855 1073056494 /nfs/dbraw/zinc/05/64/94/1073056494.db2.gz HTRNQZVEOLFZET-QGZVFWFLSA-N 1 0 442.582 0.758 20 0 ICADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C ZINC001614868285 1073056527 /nfs/dbraw/zinc/05/65/27/1073056527.db2.gz DRXIAHNGWGDAEO-DLBZAZTESA-N 1 0 431.585 0.987 20 0 ICADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C ZINC001614868287 1073057077 /nfs/dbraw/zinc/05/70/77/1073057077.db2.gz DRXIAHNGWGDAEO-IAGOWNOFSA-N 1 0 431.585 0.987 20 0 ICADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C ZINC001614868288 1073057011 /nfs/dbraw/zinc/05/70/11/1073057011.db2.gz DRXIAHNGWGDAEO-IRXDYDNUSA-N 1 0 431.585 0.987 20 0 ICADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C ZINC001614868289 1073057148 /nfs/dbraw/zinc/05/71/48/1073057148.db2.gz DRXIAHNGWGDAEO-SJORKVTESA-N 1 0 431.585 0.987 20 0 ICADRO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001614877445 1073057810 /nfs/dbraw/zinc/05/78/10/1073057810.db2.gz FISKLIYGVXVLQR-GOSISDBHSA-N 1 0 447.584 0.525 20 0 ICADRO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001614877446 1073057740 /nfs/dbraw/zinc/05/77/40/1073057740.db2.gz FISKLIYGVXVLQR-SFHVURJKSA-N 1 0 447.584 0.525 20 0 ICADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001614883863 1073058840 /nfs/dbraw/zinc/05/88/40/1073058840.db2.gz GKERTMGJZMBXIY-SFHVURJKSA-N 1 0 447.584 0.684 20 0 ICADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001614885855 1073058779 /nfs/dbraw/zinc/05/87/79/1073058779.db2.gz PAPWIYQQDKMTAM-JYJNAYRXSA-N 1 0 441.602 0.464 20 0 ICADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001614885856 1073058858 /nfs/dbraw/zinc/05/88/58/1073058858.db2.gz PAPWIYQQDKMTAM-OAGGEKHMSA-N 1 0 441.602 0.464 20 0 ICADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001614885857 1073058969 /nfs/dbraw/zinc/05/89/69/1073058969.db2.gz PAPWIYQQDKMTAM-PMPSAXMXSA-N 1 0 441.602 0.464 20 0 ICADRO 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/nfs/dbraw/zinc/07/21/21/1073072121.db2.gz NYKYWNAEMVKLPX-AZUAARDMSA-N 1 0 448.539 0.389 20 0 ICADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001615039125 1073072482 /nfs/dbraw/zinc/07/24/82/1073072482.db2.gz NYKYWNAEMVKLPX-ICSRJNTNSA-N 1 0 448.539 0.389 20 0 ICADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001615039126 1073072587 /nfs/dbraw/zinc/07/25/87/1073072587.db2.gz NYKYWNAEMVKLPX-QUCCMNQESA-N 1 0 448.539 0.389 20 0 ICADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001615039127 1073072342 /nfs/dbraw/zinc/07/23/42/1073072342.db2.gz NYKYWNAEMVKLPX-UYAOXDASSA-N 1 0 448.539 0.389 20 0 ICADRO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001615046732 1073072526 /nfs/dbraw/zinc/07/25/26/1073072526.db2.gz FYJMAMCYDVZGSJ-UHFFFAOYSA-N 1 0 441.646 0.912 20 0 ICADRO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001615047162 1073072560 /nfs/dbraw/zinc/07/25/60/1073072560.db2.gz MJPUIYZBEMRNFC-UHFFFAOYSA-N 1 0 428.603 0.732 20 0 ICADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001615048066 1073072291 /nfs/dbraw/zinc/07/22/91/1073072291.db2.gz RKRWUWCYEPPVBW-HNNXBMFYSA-N 1 0 438.602 0.927 20 0 ICADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001615048067 1073072457 /nfs/dbraw/zinc/07/24/57/1073072457.db2.gz RKRWUWCYEPPVBW-OAHLLOKOSA-N 1 0 438.602 0.927 20 0 ICADRO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001615089208 1073073484 /nfs/dbraw/zinc/07/34/84/1073073484.db2.gz LIHARQLCJQRKJZ-UHFFFAOYSA-N 1 0 433.557 0.293 20 0 ICADRO CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001615090808 1073074141 /nfs/dbraw/zinc/07/41/41/1073074141.db2.gz SOPJNBULFFPORZ-UHFFFAOYSA-N 1 0 435.573 0.443 20 0 ICADRO CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001615095940 1073074436 /nfs/dbraw/zinc/07/44/36/1073074436.db2.gz KZCDNMYIFMZGRP-UHFFFAOYSA-N 1 0 440.552 0.563 20 0 ICADRO CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001615099047 1073074859 /nfs/dbraw/zinc/07/48/59/1073074859.db2.gz NKVFYTCGTONTBL-UHFFFAOYSA-N 1 0 428.541 0.762 20 0 ICADRO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001615101102 1073075360 /nfs/dbraw/zinc/07/53/60/1073075360.db2.gz LNGIGHUVOMCSQK-INIZCTEOSA-N 1 0 440.614 0.969 20 0 ICADRO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001615101104 1073075515 /nfs/dbraw/zinc/07/55/15/1073075515.db2.gz LNGIGHUVOMCSQK-MRXNPFEDSA-N 1 0 440.614 0.969 20 0 ICADRO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001615119209 1073076611 /nfs/dbraw/zinc/07/66/11/1073076611.db2.gz CZRTVXBMSZDKPL-FQEVSTJZSA-N 1 0 447.628 0.940 20 0 ICADRO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001615119210 1073076545 /nfs/dbraw/zinc/07/65/45/1073076545.db2.gz CZRTVXBMSZDKPL-HXUWFJFHSA-N 1 0 447.628 0.940 20 0 ICADRO CCN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 ZINC001615120173 1073076515 /nfs/dbraw/zinc/07/65/15/1073076515.db2.gz IFWZELFMKXFRBQ-UHFFFAOYSA-N 1 0 441.580 0.958 20 0 ICADRO CC[N@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)c1 ZINC001615186472 1073078855 /nfs/dbraw/zinc/07/88/55/1073078855.db2.gz SRMUIJNXLTWYGS-UHFFFAOYSA-N 1 0 425.537 0.837 20 0 ICADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC001615214620 1073080401 /nfs/dbraw/zinc/08/04/01/1073080401.db2.gz HQHBEGZQFHCNLX-GOSISDBHSA-N 1 0 443.504 0.888 20 0 ICADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC001615214621 1073080515 /nfs/dbraw/zinc/08/05/15/1073080515.db2.gz HQHBEGZQFHCNLX-SFHVURJKSA-N 1 0 443.504 0.888 20 0 ICADRO CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001615244816 1073082638 /nfs/dbraw/zinc/08/26/38/1073082638.db2.gz XYGCAGBNACUKFC-FGTMMUONSA-N 1 0 441.598 0.642 20 0 ICADRO CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001615244820 1073082760 /nfs/dbraw/zinc/08/27/60/1073082760.db2.gz XYGCAGBNACUKFC-KURKYZTESA-N 1 0 441.598 0.642 20 0 ICADRO CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001615244822 1073082457 /nfs/dbraw/zinc/08/24/57/1073082457.db2.gz XYGCAGBNACUKFC-KZNAEPCWSA-N 1 0 441.598 0.642 20 0 ICADRO CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001615244825 1073082517 /nfs/dbraw/zinc/08/25/17/1073082517.db2.gz XYGCAGBNACUKFC-SQNIBIBYSA-N 1 0 441.598 0.642 20 0 ICADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCSCC1)C(C)C ZINC001615245056 1073083205 /nfs/dbraw/zinc/08/32/05/1073083205.db2.gz YGJRAMKKTGYFKY-INIZCTEOSA-N 1 0 446.643 0.895 20 0 ICADRO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCSCC1)C(C)C ZINC001615245059 1073083012 /nfs/dbraw/zinc/08/30/12/1073083012.db2.gz YGJRAMKKTGYFKY-MRXNPFEDSA-N 1 0 446.643 0.895 20 0 ICADRO CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C1CC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001615263896 1073083372 /nfs/dbraw/zinc/08/33/72/1073083372.db2.gz QAMOLTDGOUGIPK-DLBZAZTESA-N 1 0 438.598 0.754 20 0 ICADRO CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C1CC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001615263897 1073083552 /nfs/dbraw/zinc/08/35/52/1073083552.db2.gz QAMOLTDGOUGIPK-IAGOWNOFSA-N 1 0 438.598 0.754 20 0 ICADRO CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001615263898 1073083461 /nfs/dbraw/zinc/08/34/61/1073083461.db2.gz QAMOLTDGOUGIPK-IRXDYDNUSA-N 1 0 438.598 0.754 20 0 ICADRO CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001615263899 1073083627 /nfs/dbraw/zinc/08/36/27/1073083627.db2.gz QAMOLTDGOUGIPK-SJORKVTESA-N 1 0 438.598 0.754 20 0 ICADRO CCN(C1CCN(c2nnc(C3CC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001615283751 1073084292 /nfs/dbraw/zinc/08/42/92/1073084292.db2.gz XMQAIIGTMPLSPU-IBGZPJMESA-N 1 0 426.587 0.472 20 0 ICADRO CCN(C1CCN(c2nnc(C3CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001615283752 1073084359 /nfs/dbraw/zinc/08/43/59/1073084359.db2.gz XMQAIIGTMPLSPU-LJQANCHMSA-N 1 0 426.587 0.472 20 0 ICADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001615332229 1073087056 /nfs/dbraw/zinc/08/70/56/1073087056.db2.gz KFRKBQSSMLHYDM-HNNXBMFYSA-N 1 0 428.530 0.361 20 0 ICADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001615332230 1073087030 /nfs/dbraw/zinc/08/70/30/1073087030.db2.gz KFRKBQSSMLHYDM-OAHLLOKOSA-N 1 0 428.530 0.361 20 0 ICADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCOC(C)(C)C2)C1 ZINC001615332251 1073086710 /nfs/dbraw/zinc/08/67/10/1073086710.db2.gz KUUNFPLFUFHSQD-INIZCTEOSA-N 1 0 426.558 0.977 20 0 ICADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCOC(C)(C)C2)C1 ZINC001615332252 1073086789 /nfs/dbraw/zinc/08/67/89/1073086789.db2.gz KUUNFPLFUFHSQD-MRXNPFEDSA-N 1 0 426.558 0.977 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615337077 1073087230 /nfs/dbraw/zinc/08/72/30/1073087230.db2.gz LDCHQWRTRGRINC-JOCHJYFZSA-N 1 0 442.568 0.991 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615337078 1073087429 /nfs/dbraw/zinc/08/74/29/1073087429.db2.gz LDCHQWRTRGRINC-QFIPXVFZSA-N 1 0 442.568 0.991 20 0 ICADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)CC1 ZINC001615339878 1073087259 /nfs/dbraw/zinc/08/72/59/1073087259.db2.gz CJLZTWVRHBCJEY-UHFFFAOYSA-N 1 0 447.588 0.841 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001615343581 1073087621 /nfs/dbraw/zinc/08/76/21/1073087621.db2.gz AXPODHMHBPCPJZ-INIZCTEOSA-N 1 0 435.573 0.715 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001615346732 1073087732 /nfs/dbraw/zinc/08/77/32/1073087732.db2.gz OVGXCPLYUOLPOQ-ILXRZTDVSA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001615346796 1073087672 /nfs/dbraw/zinc/08/76/72/1073087672.db2.gz OVGXCPLYUOLPOQ-KFWWJZLASA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001615346797 1073087879 /nfs/dbraw/zinc/08/78/79/1073087879.db2.gz OVGXCPLYUOLPOQ-QLFBSQMISA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001615346798 1073087637 /nfs/dbraw/zinc/08/76/37/1073087637.db2.gz OVGXCPLYUOLPOQ-RBSFLKMASA-N 1 0 429.591 0.286 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001615346883 1073087566 /nfs/dbraw/zinc/08/75/66/1073087566.db2.gz QSTRSDMVJKMLLR-INIZCTEOSA-N 1 0 447.588 0.598 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001615346884 1073087656 /nfs/dbraw/zinc/08/76/56/1073087656.db2.gz QSTRSDMVJKMLLR-MRXNPFEDSA-N 1 0 447.588 0.598 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001615347075 1073087815 /nfs/dbraw/zinc/08/78/15/1073087815.db2.gz TXCUEIBRKBWDEF-GJZGRUSLSA-N 1 0 445.590 0.507 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001615347080 1073088282 /nfs/dbraw/zinc/08/82/82/1073088282.db2.gz TXCUEIBRKBWDEF-LSDHHAIUSA-N 1 0 445.590 0.507 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615347223 1073088083 /nfs/dbraw/zinc/08/80/83/1073088083.db2.gz VSYVYEJHKGFRNU-CVEARBPZSA-N 1 0 444.540 0.607 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615347224 1073088123 /nfs/dbraw/zinc/08/81/23/1073088123.db2.gz VSYVYEJHKGFRNU-HOTGVXAUSA-N 1 0 444.540 0.607 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615347225 1073088240 /nfs/dbraw/zinc/08/82/40/1073088240.db2.gz VSYVYEJHKGFRNU-HZPDHXFCSA-N 1 0 444.540 0.607 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615347226 1073088150 /nfs/dbraw/zinc/08/81/50/1073088150.db2.gz VSYVYEJHKGFRNU-JKSUJKDBSA-N 1 0 444.540 0.607 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001615351262 1073088042 /nfs/dbraw/zinc/08/80/42/1073088042.db2.gz STTDGUZCYPAPPG-INIZCTEOSA-N 1 0 440.556 0.996 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001615351263 1073088195 /nfs/dbraw/zinc/08/81/95/1073088195.db2.gz STTDGUZCYPAPPG-MRXNPFEDSA-N 1 0 440.556 0.996 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001615356346 1073088174 /nfs/dbraw/zinc/08/81/74/1073088174.db2.gz BQRIBTXCUHGBLF-ROUUACIJSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001615356352 1073088215 /nfs/dbraw/zinc/08/82/15/1073088215.db2.gz BQRIBTXCUHGBLF-ZWKOTPCHSA-N 1 0 442.630 0.679 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001615357338 1073088296 /nfs/dbraw/zinc/08/82/96/1073088296.db2.gz JJKVYELHDHRSQZ-IKGGRYGDSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001615357341 1073088205 /nfs/dbraw/zinc/08/82/05/1073088205.db2.gz JJKVYELHDHRSQZ-IXDOHACOSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001615357343 1073088057 /nfs/dbraw/zinc/08/80/57/1073088057.db2.gz JJKVYELHDHRSQZ-ULQDDVLXSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001615357344 1073088134 /nfs/dbraw/zinc/08/81/34/1073088134.db2.gz JJKVYELHDHRSQZ-YESZJQIVSA-N 1 0 444.602 0.566 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001615357848 1073088308 /nfs/dbraw/zinc/08/83/08/1073088308.db2.gz LRRGCLKWTCYYFZ-HOTGVXAUSA-N 1 0 428.603 0.871 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001615357851 1073088253 /nfs/dbraw/zinc/08/82/53/1073088253.db2.gz LRRGCLKWTCYYFZ-JKSUJKDBSA-N 1 0 428.603 0.871 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 ZINC001615363586 1073088070 /nfs/dbraw/zinc/08/80/70/1073088070.db2.gz LHHKGWJKUHHGMH-GDBMZVCRSA-N 1 0 440.574 0.818 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 ZINC001615363590 1073088163 /nfs/dbraw/zinc/08/81/63/1073088163.db2.gz LHHKGWJKUHHGMH-GOEBONIOSA-N 1 0 440.574 0.818 20 0 ICADRO CC[NH+](CC)[C@@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC001615363591 1073087985 /nfs/dbraw/zinc/08/79/85/1073087985.db2.gz LHHKGWJKUHHGMH-HOCLYGCPSA-N 1 0 440.574 0.818 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC001615363592 1073088575 /nfs/dbraw/zinc/08/85/75/1073088575.db2.gz LHHKGWJKUHHGMH-ZBFHGGJFSA-N 1 0 440.574 0.818 20 0 ICADRO CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001615394253 1073089035 /nfs/dbraw/zinc/08/90/35/1073089035.db2.gz DDNDQRSCKDEJSC-KRWDZBQOSA-N 1 0 444.602 0.304 20 0 ICADRO CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001615394254 1073089048 /nfs/dbraw/zinc/08/90/48/1073089048.db2.gz DDNDQRSCKDEJSC-QGZVFWFLSA-N 1 0 444.602 0.304 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)NC)CC1 ZINC001615403441 1073089350 /nfs/dbraw/zinc/08/93/50/1073089350.db2.gz IOPSFPXFHKIOTC-UHFFFAOYSA-N 1 0 429.591 0.276 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001615407494 1073089366 /nfs/dbraw/zinc/08/93/66/1073089366.db2.gz HBAFKDIMFYITSV-UHFFFAOYSA-N 1 0 436.586 0.937 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001615409147 1073089602 /nfs/dbraw/zinc/08/96/02/1073089602.db2.gz PDWLZFUEMUAOTB-CVEARBPZSA-N 1 0 446.556 0.528 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001615409149 1073089754 /nfs/dbraw/zinc/08/97/54/1073089754.db2.gz PDWLZFUEMUAOTB-HOTGVXAUSA-N 1 0 446.556 0.528 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)CC1 ZINC001615409548 1073089690 /nfs/dbraw/zinc/08/96/90/1073089690.db2.gz VOTFKSZIXREHAY-HNNXBMFYSA-N 1 0 427.575 0.089 20 0 ICADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)CC1 ZINC001615409549 1073089309 /nfs/dbraw/zinc/08/93/09/1073089309.db2.gz VOTFKSZIXREHAY-OAHLLOKOSA-N 1 0 427.575 0.089 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615410700 1073089493 /nfs/dbraw/zinc/08/94/93/1073089493.db2.gz BPRTYJNRVZCYNW-KRWDZBQOSA-N 1 0 440.614 0.827 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615410701 1073089704 /nfs/dbraw/zinc/08/97/04/1073089704.db2.gz BPRTYJNRVZCYNW-QGZVFWFLSA-N 1 0 440.614 0.827 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001615411249 1073089325 /nfs/dbraw/zinc/08/93/25/1073089325.db2.gz LOCUTVGSIZSPFD-INIZCTEOSA-N 1 0 448.572 0.380 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)F)CC1 ZINC001615411824 1073089459 /nfs/dbraw/zinc/08/94/59/1073089459.db2.gz SQHMILSBJAMXAK-UHFFFAOYSA-N 1 0 433.479 0.969 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn[nH]c2)CC1 ZINC001615411835 1073089668 /nfs/dbraw/zinc/08/96/68/1073089668.db2.gz TXBQVFLGLQXPLM-UHFFFAOYSA-N 1 0 445.572 0.373 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2nncn2C)CC1 ZINC001615413399 1073089614 /nfs/dbraw/zinc/08/96/14/1073089614.db2.gz BXGNKPXZIUOWDF-UHFFFAOYSA-N 1 0 438.540 0.507 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001615413591 1073089723 /nfs/dbraw/zinc/08/97/23/1073089723.db2.gz GAQPALODOABXMO-UHFFFAOYSA-N 1 0 427.553 0.919 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001615414195 1073089379 /nfs/dbraw/zinc/08/93/79/1073089379.db2.gz LXURSTRRXBCQBZ-UHFFFAOYSA-N 1 0 426.587 0.544 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSC)CC1 ZINC001615415466 1073090013 /nfs/dbraw/zinc/09/00/13/1073090013.db2.gz AEYYBLIMUUCVJD-INIZCTEOSA-N 1 0 437.614 0.973 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSC)CC1 ZINC001615415467 1073090237 /nfs/dbraw/zinc/09/02/37/1073090237.db2.gz AEYYBLIMUUCVJD-MRXNPFEDSA-N 1 0 437.614 0.973 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001615415515 1073089890 /nfs/dbraw/zinc/08/98/90/1073089890.db2.gz CEBXPOZTFJSUAC-UHFFFAOYSA-N 1 0 441.602 0.037 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccn(C)n2)CC1 ZINC001615415522 1073090191 /nfs/dbraw/zinc/09/01/91/1073090191.db2.gz CHVSWOISBLIGFS-UHFFFAOYSA-N 1 0 440.556 0.451 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CCS(C)(=O)=O)CC1 ZINC001615415577 1073090095 /nfs/dbraw/zinc/09/00/95/1073090095.db2.gz DPBPUVPOSCWWFO-UHFFFAOYSA-N 1 0 426.587 0.581 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2COCCO2)CC1 ZINC001615416054 1073090109 /nfs/dbraw/zinc/09/01/09/1073090109.db2.gz SNDAEQCOVHRZIL-LJQANCHMSA-N 1 0 443.552 0.746 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO2)CC1 ZINC001615416075 1073090055 /nfs/dbraw/zinc/09/00/55/1073090055.db2.gz UFATZJHONUXPRA-QGZVFWFLSA-N 1 0 428.541 0.905 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCC(=O)N2CCOCC2)CC1 ZINC001615416082 1073090080 /nfs/dbraw/zinc/09/00/80/1073090080.db2.gz UNQHOTHFOIPLID-UHFFFAOYSA-N 1 0 447.584 0.395 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCC2)CC1 ZINC001615416102 1073090122 /nfs/dbraw/zinc/09/01/22/1073090122.db2.gz VJHZRYDKOYZFJH-UHFFFAOYSA-N 1 0 430.557 0.584 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2COCCO2)CC1 ZINC001615416174 1073089857 /nfs/dbraw/zinc/08/98/57/1073089857.db2.gz XNWMOURSCVYSKV-KRWDZBQOSA-N 1 0 431.541 0.679 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2COCCO2)CC1 ZINC001615416175 1073090143 /nfs/dbraw/zinc/09/01/43/1073090143.db2.gz XNWMOURSCVYSKV-QGZVFWFLSA-N 1 0 431.541 0.679 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nncn2C)CC1 ZINC001615416233 1073090714 /nfs/dbraw/zinc/09/07/14/1073090714.db2.gz ZHXCNFXCHBLLHY-UHFFFAOYSA-N 1 0 426.529 0.440 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001615416243 1073090742 /nfs/dbraw/zinc/09/07/42/1073090742.db2.gz ZRFQINQRPHHXNC-FGTMMUONSA-N 1 0 447.584 0.645 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001615416244 1073090683 /nfs/dbraw/zinc/09/06/83/1073090683.db2.gz ZRFQINQRPHHXNC-KZNAEPCWSA-N 1 0 447.584 0.645 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2)CC1 ZINC001615416312 1073090853 /nfs/dbraw/zinc/09/08/53/1073090853.db2.gz CMHKPTFTBNMRMJ-IBGZPJMESA-N 1 0 444.584 0.944 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2)CC1 ZINC001615416313 1073090467 /nfs/dbraw/zinc/09/04/67/1073090467.db2.gz CMHKPTFTBNMRMJ-LJQANCHMSA-N 1 0 444.584 0.944 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(C)cn2)CC1 ZINC001615416332 1073090489 /nfs/dbraw/zinc/09/04/89/1073090489.db2.gz CWTNLIZZHKWKJY-IBGZPJMESA-N 1 0 444.584 0.978 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(C)cn2)CC1 ZINC001615416333 1073090798 /nfs/dbraw/zinc/09/07/98/1073090798.db2.gz CWTNLIZZHKWKJY-LJQANCHMSA-N 1 0 444.584 0.978 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2nnc(C)s2)CC1 ZINC001615416344 1073090771 /nfs/dbraw/zinc/09/07/71/1073090771.db2.gz DFOHWBDVQMQMEE-INIZCTEOSA-N 1 0 448.597 0.981 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nnc(C)s2)CC1 ZINC001615416345 1073090510 /nfs/dbraw/zinc/09/05/10/1073090510.db2.gz DFOHWBDVQMQMEE-MRXNPFEDSA-N 1 0 448.597 0.981 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2nnn(C)n2)CC1 ZINC001615416389 1073090580 /nfs/dbraw/zinc/09/05/80/1073090580.db2.gz FWOCDNUNYFRFMQ-UHFFFAOYSA-N 1 0 444.588 0.573 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)F)CC1 ZINC001615416467 1073090928 /nfs/dbraw/zinc/09/09/28/1073090928.db2.gz AOYCVULYRXIICJ-UHFFFAOYSA-N 1 0 445.490 0.953 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(C)=O)CC1 ZINC001615416568 1073090437 /nfs/dbraw/zinc/09/04/37/1073090437.db2.gz HOEFKBAHQVVEMR-GOSISDBHSA-N 1 0 435.573 0.299 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(C)=O)CC1 ZINC001615416569 1073090823 /nfs/dbraw/zinc/09/08/23/1073090823.db2.gz HOEFKBAHQVVEMR-SFHVURJKSA-N 1 0 435.573 0.299 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001615416955 1073090606 /nfs/dbraw/zinc/09/06/06/1073090606.db2.gz NHKSZLBNJYMQLM-UHFFFAOYSA-N 1 0 449.600 0.326 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[S@](=O)CC)CC1 ZINC001615417067 1073090529 /nfs/dbraw/zinc/09/05/29/1073090529.db2.gz LSVLJJUJZAZXIQ-BJLXPSRBSA-N 1 0 440.614 0.889 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[S@@](=O)CC)CC1 ZINC001615417068 1073090906 /nfs/dbraw/zinc/09/09/06/1073090906.db2.gz LSVLJJUJZAZXIQ-ZQHDKMAOSA-N 1 0 440.614 0.889 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001615417197 1073090404 /nfs/dbraw/zinc/09/04/04/1073090404.db2.gz OEKRFNWCYADEIA-JOCHJYFZSA-N 1 0 433.601 0.945 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001615417198 1073090880 /nfs/dbraw/zinc/09/08/80/1073090880.db2.gz OEKRFNWCYADEIA-QFIPXVFZSA-N 1 0 433.601 0.945 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001615417380 1073090544 /nfs/dbraw/zinc/09/05/44/1073090544.db2.gz QHZBCNLNZIXFMS-IBGZPJMESA-N 1 0 447.628 0.942 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001615417383 1073090636 /nfs/dbraw/zinc/09/06/36/1073090636.db2.gz QHZBCNLNZIXFMS-LJQANCHMSA-N 1 0 447.628 0.942 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001615417396 1073091420 /nfs/dbraw/zinc/09/14/20/1073091420.db2.gz QICMOHZCPYIQMY-VGOFRKELSA-N 1 0 447.584 0.598 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001615417399 1073091269 /nfs/dbraw/zinc/09/12/69/1073091269.db2.gz QICMOHZCPYIQMY-VGSWGCGISA-N 1 0 447.584 0.598 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(C)O)CC1 ZINC001615417607 1073091314 /nfs/dbraw/zinc/09/13/14/1073091314.db2.gz RXCQSRCIONNTCX-UHFFFAOYSA-N 1 0 449.600 0.552 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)COC2)CC1 ZINC001615417633 1073091082 /nfs/dbraw/zinc/09/10/82/1073091082.db2.gz SOXIGIIZMMQEFT-UHFFFAOYSA-N 1 0 447.584 0.427 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NC(C)C)CC1 ZINC001615417757 1073091122 /nfs/dbraw/zinc/09/11/22/1073091122.db2.gz WMNVGUUMDKEJNN-GOSISDBHSA-N 1 0 449.600 0.687 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NC(C)C)CC1 ZINC001615417758 1073091475 /nfs/dbraw/zinc/09/14/75/1073091475.db2.gz WMNVGUUMDKEJNN-SFHVURJKSA-N 1 0 449.600 0.687 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)C1 ZINC001615422373 1073091299 /nfs/dbraw/zinc/09/12/99/1073091299.db2.gz CGHVTNNLSKBCPC-CABCVRRESA-N 1 0 429.591 0.145 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)C1 ZINC001615422374 1073091404 /nfs/dbraw/zinc/09/14/04/1073091404.db2.gz CGHVTNNLSKBCPC-GJZGRUSLSA-N 1 0 429.591 0.145 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)C1 ZINC001615422375 1073091108 /nfs/dbraw/zinc/09/11/08/1073091108.db2.gz CGHVTNNLSKBCPC-HUUCEWRRSA-N 1 0 429.591 0.145 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)C1 ZINC001615422376 1073091188 /nfs/dbraw/zinc/09/11/88/1073091188.db2.gz CGHVTNNLSKBCPC-LSDHHAIUSA-N 1 0 429.591 0.145 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCOCC2)C1 ZINC001615422473 1073091160 /nfs/dbraw/zinc/09/11/60/1073091160.db2.gz CZODVBAXKTZHLE-KRWDZBQOSA-N 1 0 435.573 0.443 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCOCC2)C1 ZINC001615422474 1073091034 /nfs/dbraw/zinc/09/10/34/1073091034.db2.gz CZODVBAXKTZHLE-QGZVFWFLSA-N 1 0 435.573 0.443 20 0 ICADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CCN(C(=O)C[NH+]3CCCC3)CC1)OC2=O ZINC001615422901 1073091200 /nfs/dbraw/zinc/09/12/00/1073091200.db2.gz MXVNIXGNZBDCOC-KRWDZBQOSA-N 1 0 436.553 0.779 20 0 ICADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCN(C(=O)C[NH+]3CCCC3)CC1)OC2=O ZINC001615422903 1073091347 /nfs/dbraw/zinc/09/13/47/1073091347.db2.gz MXVNIXGNZBDCOC-QGZVFWFLSA-N 1 0 436.553 0.779 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCOCC2)C1 ZINC001615423710 1073091173 /nfs/dbraw/zinc/09/11/73/1073091173.db2.gz RTMAIRSTJXZKDF-GOSISDBHSA-N 1 0 449.600 0.833 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCOCC2)C1 ZINC001615423714 1073091147 /nfs/dbraw/zinc/09/11/47/1073091147.db2.gz RTMAIRSTJXZKDF-SFHVURJKSA-N 1 0 449.600 0.833 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)C1 ZINC001615429555 1073091694 /nfs/dbraw/zinc/09/16/94/1073091694.db2.gz ZWNMKJCBEHGABK-IXDOHACOSA-N 1 0 444.602 0.472 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)C1 ZINC001615429559 1073091826 /nfs/dbraw/zinc/09/18/26/1073091826.db2.gz ZWNMKJCBEHGABK-YESZJQIVSA-N 1 0 444.602 0.472 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnnn2C)C1 ZINC001615430763 1073091867 /nfs/dbraw/zinc/09/18/67/1073091867.db2.gz DJGCHTOKYLIKIA-CVEARBPZSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnnn2C)C1 ZINC001615430764 1073091812 /nfs/dbraw/zinc/09/18/12/1073091812.db2.gz DJGCHTOKYLIKIA-HOTGVXAUSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnnn2C)C1 ZINC001615430765 1073091732 /nfs/dbraw/zinc/09/17/32/1073091732.db2.gz DJGCHTOKYLIKIA-HZPDHXFCSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnnn2C)C1 ZINC001615430766 1073091666 /nfs/dbraw/zinc/09/16/66/1073091666.db2.gz DJGCHTOKYLIKIA-JKSUJKDBSA-N 1 0 436.586 0.525 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 ZINC001615431342 1073091598 /nfs/dbraw/zinc/09/15/98/1073091598.db2.gz GZHCCQQSFDTZJT-CVEARBPZSA-N 1 0 441.540 0.891 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 ZINC001615431343 1073091778 /nfs/dbraw/zinc/09/17/78/1073091778.db2.gz GZHCCQQSFDTZJT-HOTGVXAUSA-N 1 0 441.540 0.891 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001615431460 1073091842 /nfs/dbraw/zinc/09/18/42/1073091842.db2.gz JZOFDPWCZOSRHL-ABSDTBQOSA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001615431461 1073092163 /nfs/dbraw/zinc/09/21/63/1073092163.db2.gz JZOFDPWCZOSRHL-QKLQHJQFSA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001615431462 1073092227 /nfs/dbraw/zinc/09/22/27/1073092227.db2.gz JZOFDPWCZOSRHL-SQGPQFPESA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001615431464 1073092100 /nfs/dbraw/zinc/09/21/00/1073092100.db2.gz JZOFDPWCZOSRHL-ZWOKBUDYSA-N 1 0 441.598 0.500 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C1 ZINC001615433416 1073092147 /nfs/dbraw/zinc/09/21/47/1073092147.db2.gz XQZQKUKZANBFCZ-DLBZAZTESA-N 1 0 440.614 0.827 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C1 ZINC001615433417 1073092019 /nfs/dbraw/zinc/09/20/19/1073092019.db2.gz XQZQKUKZANBFCZ-IAGOWNOFSA-N 1 0 440.614 0.827 20 0 ICADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C1 ZINC001615433418 1073092244 /nfs/dbraw/zinc/09/22/44/1073092244.db2.gz XQZQKUKZANBFCZ-IRXDYDNUSA-N 1 0 440.614 0.827 20 0 ICADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N(C)C)C1 ZINC001615433419 1073092048 /nfs/dbraw/zinc/09/20/48/1073092048.db2.gz XQZQKUKZANBFCZ-SJORKVTESA-N 1 0 440.614 0.827 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 ZINC001615437163 1073092182 /nfs/dbraw/zinc/09/21/82/1073092182.db2.gz FCHXIODPJGGCOB-INIZCTEOSA-N 1 0 443.618 0.679 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 ZINC001615437164 1073092214 /nfs/dbraw/zinc/09/22/14/1073092214.db2.gz FCHXIODPJGGCOB-MRXNPFEDSA-N 1 0 443.618 0.679 20 0 ICADRO CC[NH+](CC)CCCn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001615437779 1073091976 /nfs/dbraw/zinc/09/19/76/1073091976.db2.gz RVTSEOUTGSGLKD-UHFFFAOYSA-N 1 0 438.602 0.871 20 0 ICADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001615438047 1073092138 /nfs/dbraw/zinc/09/21/38/1073092138.db2.gz ZILCOOBIFZCPRU-UHFFFAOYSA-N 1 0 448.616 0.456 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615444692 1073092195 /nfs/dbraw/zinc/09/21/95/1073092195.db2.gz RUNZENOWJLIYQG-KRWDZBQOSA-N 1 0 428.603 0.986 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615444693 1073092087 /nfs/dbraw/zinc/09/20/87/1073092087.db2.gz RUNZENOWJLIYQG-QGZVFWFLSA-N 1 0 428.603 0.986 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001615444755 1073091993 /nfs/dbraw/zinc/09/19/93/1073091993.db2.gz STCLMTUOBQUAPR-HNNXBMFYSA-N 1 0 433.600 0.147 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001615444763 1073092114 /nfs/dbraw/zinc/09/21/14/1073092114.db2.gz STCLMTUOBQUAPR-OAHLLOKOSA-N 1 0 433.600 0.147 20 0 ICADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001615444799 1073092769 /nfs/dbraw/zinc/09/27/69/1073092769.db2.gz TXKGXMKSYXPWNR-DLBZAZTESA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001615444819 1073092889 /nfs/dbraw/zinc/09/28/89/1073092889.db2.gz TXKGXMKSYXPWNR-IRXDYDNUSA-N 1 0 444.602 0.568 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001615448928 1073093043 /nfs/dbraw/zinc/09/30/43/1073093043.db2.gz IPPXCKAQNSRDNM-MRXNPFEDSA-N 1 0 445.572 0.733 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001615449189 1073093270 /nfs/dbraw/zinc/09/32/70/1073093270.db2.gz MRAYXTAZLUCAHU-DLBZAZTESA-N 1 0 433.557 0.399 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001615449190 1073093286 /nfs/dbraw/zinc/09/32/86/1073093286.db2.gz MRAYXTAZLUCAHU-IAGOWNOFSA-N 1 0 433.557 0.399 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001615449191 1073093388 /nfs/dbraw/zinc/09/33/88/1073093388.db2.gz MRAYXTAZLUCAHU-IRXDYDNUSA-N 1 0 433.557 0.399 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001615449192 1073093317 /nfs/dbraw/zinc/09/33/17/1073093317.db2.gz MRAYXTAZLUCAHU-SJORKVTESA-N 1 0 433.557 0.399 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001615449276 1073093401 /nfs/dbraw/zinc/09/34/01/1073093401.db2.gz QJQRVUXEPCWIKU-ARFHVFGLSA-N 1 0 436.513 0.702 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001615449277 1073093302 /nfs/dbraw/zinc/09/33/02/1073093302.db2.gz QJQRVUXEPCWIKU-HRCADAONSA-N 1 0 436.513 0.702 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001615449278 1073093376 /nfs/dbraw/zinc/09/33/76/1073093376.db2.gz QJQRVUXEPCWIKU-JYJNAYRXSA-N 1 0 436.513 0.702 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001615449279 1073093013 /nfs/dbraw/zinc/09/30/13/1073093013.db2.gz QJQRVUXEPCWIKU-XHSDSOJGSA-N 1 0 436.513 0.702 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001615449452 1073093351 /nfs/dbraw/zinc/09/33/51/1073093351.db2.gz YPJQVEHJUGXBBJ-IKGGRYGDSA-N 1 0 433.557 0.302 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001615449453 1073093098 /nfs/dbraw/zinc/09/30/98/1073093098.db2.gz YPJQVEHJUGXBBJ-IXDOHACOSA-N 1 0 433.557 0.302 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001615449454 1073093028 /nfs/dbraw/zinc/09/30/28/1073093028.db2.gz YPJQVEHJUGXBBJ-ULQDDVLXSA-N 1 0 433.557 0.302 20 0 ICADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001615449455 1073093362 /nfs/dbraw/zinc/09/33/62/1073093362.db2.gz YPJQVEHJUGXBBJ-YESZJQIVSA-N 1 0 433.557 0.302 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001615449780 1073093745 /nfs/dbraw/zinc/09/37/45/1073093745.db2.gz DGIXNDBIKDCJMU-NRFANRHFSA-N 1 0 430.557 0.753 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001615449781 1073093866 /nfs/dbraw/zinc/09/38/66/1073093866.db2.gz DGIXNDBIKDCJMU-OAQYLSRUSA-N 1 0 430.557 0.753 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1 ZINC001615449791 1073093807 /nfs/dbraw/zinc/09/38/07/1073093807.db2.gz DKZVVLIZPMYGCH-UHFFFAOYSA-N 1 0 447.540 0.643 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cnccn2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001615450283 1073093662 /nfs/dbraw/zinc/09/36/62/1073093662.db2.gz MGPWTSMNJFBEDO-GOSISDBHSA-N 1 0 430.557 0.614 20 0 ICADRO CC[NH+](CC)CCOCCn1c(-c2cnccn2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001615450284 1073093701 /nfs/dbraw/zinc/09/37/01/1073093701.db2.gz MGPWTSMNJFBEDO-SFHVURJKSA-N 1 0 430.557 0.614 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001615453856 1073093568 /nfs/dbraw/zinc/09/35/68/1073093568.db2.gz NRPSJIKACBNTAT-QGZVFWFLSA-N 1 0 431.589 0.619 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 ZINC001615453965 1073093841 /nfs/dbraw/zinc/09/38/41/1073093841.db2.gz VAUZKLFPRCRKDD-CQSZACIVSA-N 1 0 438.554 0.971 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 ZINC001615456859 1073093761 /nfs/dbraw/zinc/09/37/61/1073093761.db2.gz JMGWLOLHHSPPSD-CVEARBPZSA-N 1 0 446.643 0.895 20 0 ICADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 ZINC001615456862 1073093882 /nfs/dbraw/zinc/09/38/82/1073093882.db2.gz JMGWLOLHHSPPSD-HZPDHXFCSA-N 1 0 446.643 0.895 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC001615465501 1073093777 /nfs/dbraw/zinc/09/37/77/1073093777.db2.gz DMDFRZCBANUXKH-IBGZPJMESA-N 1 0 448.545 0.757 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC001615465504 1073093623 /nfs/dbraw/zinc/09/36/23/1073093623.db2.gz DMDFRZCBANUXKH-LJQANCHMSA-N 1 0 448.545 0.757 20 0 ICADRO 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429.591 0.332 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001615755224 1073116025 /nfs/dbraw/zinc/11/60/25/1073116025.db2.gz YKFVRNKSMJRILC-KKUMJFAQSA-N 1 0 429.591 0.332 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@H]1C ZINC001615755225 1073116248 /nfs/dbraw/zinc/11/62/48/1073116248.db2.gz YKFVRNKSMJRILC-QLFBSQMISA-N 1 0 429.591 0.332 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001615755226 1073116358 /nfs/dbraw/zinc/11/63/58/1073116358.db2.gz YKFVRNKSMJRILC-SOUVJXGZSA-N 1 0 429.591 0.332 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615755399 1073116373 /nfs/dbraw/zinc/11/63/73/1073116373.db2.gz ZZJXJSKSAMFZLC-ILXRZTDVSA-N 1 0 429.591 0.286 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615755402 1073116272 /nfs/dbraw/zinc/11/62/72/1073116272.db2.gz ZZJXJSKSAMFZLC-KKUMJFAQSA-N 1 0 429.591 0.286 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615755404 1073116076 /nfs/dbraw/zinc/11/60/76/1073116076.db2.gz ZZJXJSKSAMFZLC-QLFBSQMISA-N 1 0 429.591 0.286 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615755407 1073116203 /nfs/dbraw/zinc/11/62/03/1073116203.db2.gz ZZJXJSKSAMFZLC-SOUVJXGZSA-N 1 0 429.591 0.286 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)C[C@@H]1C ZINC001615755829 1073116100 /nfs/dbraw/zinc/11/61/00/1073116100.db2.gz RCBNPLRGRVIANO-CKJXQJPGSA-N 1 0 429.525 0.996 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C[C@@H]1C ZINC001615755835 1073116323 /nfs/dbraw/zinc/11/63/23/1073116323.db2.gz RCBNPLRGRVIANO-QYWGDWMGSA-N 1 0 429.525 0.996 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)C[C@H]1C ZINC001615755836 1073116864 /nfs/dbraw/zinc/11/68/64/1073116864.db2.gz RCBNPLRGRVIANO-VWKPWSFCSA-N 1 0 429.525 0.996 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001615755837 1073117028 /nfs/dbraw/zinc/11/70/28/1073117028.db2.gz RCBNPLRGRVIANO-XFQAVAEZSA-N 1 0 429.525 0.996 20 0 ICADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001615768617 1073116977 /nfs/dbraw/zinc/11/69/77/1073116977.db2.gz OMHGSJZSJAUGTI-GXAQHZSOSA-N 1 0 441.598 0.639 20 0 ICADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001615768618 1073116777 /nfs/dbraw/zinc/11/67/77/1073116777.db2.gz OMHGSJZSJAUGTI-QRXRQMIZSA-N 1 0 441.598 0.639 20 0 ICADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001615768619 1073116951 /nfs/dbraw/zinc/11/69/51/1073116951.db2.gz OMHGSJZSJAUGTI-RXBWTVHKSA-N 1 0 441.598 0.639 20 0 ICADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001615768621 1073116964 /nfs/dbraw/zinc/11/69/64/1073116964.db2.gz OMHGSJZSJAUGTI-YNIGFRRXSA-N 1 0 441.598 0.639 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001615769543 1073117638 /nfs/dbraw/zinc/11/76/38/1073117638.db2.gz SZDQUVAMRGCBLV-IKGGRYGDSA-N 1 0 433.557 0.397 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001615769544 1073117692 /nfs/dbraw/zinc/11/76/92/1073117692.db2.gz SZDQUVAMRGCBLV-IXDOHACOSA-N 1 0 433.557 0.397 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001615769545 1073117769 /nfs/dbraw/zinc/11/77/69/1073117769.db2.gz SZDQUVAMRGCBLV-ULQDDVLXSA-N 1 0 433.557 0.397 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001615769546 1073117824 /nfs/dbraw/zinc/11/78/24/1073117824.db2.gz SZDQUVAMRGCBLV-YESZJQIVSA-N 1 0 433.557 0.397 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@@H]1C ZINC001615769604 1073117789 /nfs/dbraw/zinc/11/77/89/1073117789.db2.gz SIFFFQKHFKRENV-HRCADAONSA-N 1 0 442.586 0.055 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@@H]1C ZINC001615769608 1073117670 /nfs/dbraw/zinc/11/76/70/1073117670.db2.gz SIFFFQKHFKRENV-JYJNAYRXSA-N 1 0 442.586 0.055 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@H]1C ZINC001615769610 1073117763 /nfs/dbraw/zinc/11/77/63/1073117763.db2.gz SIFFFQKHFKRENV-OWCLPIDISA-N 1 0 442.586 0.055 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@H]1C ZINC001615769611 1073117702 /nfs/dbraw/zinc/11/77/02/1073117702.db2.gz SIFFFQKHFKRENV-PMPSAXMXSA-N 1 0 442.586 0.055 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615775246 1073118540 /nfs/dbraw/zinc/11/85/40/1073118540.db2.gz LVGBZEPJSDANLO-JYJNAYRXSA-N 1 0 446.556 0.308 20 0 ICADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615775247 1073118407 /nfs/dbraw/zinc/11/84/07/1073118407.db2.gz LVGBZEPJSDANLO-OAGGEKHMSA-N 1 0 446.556 0.308 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615775248 1073118500 /nfs/dbraw/zinc/11/85/00/1073118500.db2.gz LVGBZEPJSDANLO-PMPSAXMXSA-N 1 0 446.556 0.308 20 0 ICADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615775249 1073118282 /nfs/dbraw/zinc/11/82/82/1073118282.db2.gz LVGBZEPJSDANLO-XHSDSOJGSA-N 1 0 446.556 0.308 20 0 ICADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001615778981 1073118468 /nfs/dbraw/zinc/11/84/68/1073118468.db2.gz YQFSDYMQUVUGCR-NCOADZHNSA-N 1 0 444.602 0.470 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001615778982 1073118574 /nfs/dbraw/zinc/11/85/74/1073118574.db2.gz YQFSDYMQUVUGCR-QAETUUGQSA-N 1 0 444.602 0.470 20 0 ICADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001615778983 1073118427 /nfs/dbraw/zinc/11/84/27/1073118427.db2.gz YQFSDYMQUVUGCR-QZWWFDLISA-N 1 0 444.602 0.470 20 0 ICADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001615778984 1073118369 /nfs/dbraw/zinc/11/83/69/1073118369.db2.gz YQFSDYMQUVUGCR-YVSFHVDLSA-N 1 0 444.602 0.470 20 0 ICADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001615782148 1073118637 /nfs/dbraw/zinc/11/86/37/1073118637.db2.gz XOXYSARYHWARLW-UHFFFAOYSA-N 1 0 426.587 0.773 20 0 ICADRO CC[NH+]1CCC(CCn2c([C@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001615782640 1073118520 /nfs/dbraw/zinc/11/85/20/1073118520.db2.gz CWTAPPQTMHMKHH-KRWDZBQOSA-N 1 0 428.603 0.889 20 0 ICADRO CC[NH+]1CCC(CCn2c([C@@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001615782641 1073118334 /nfs/dbraw/zinc/11/83/34/1073118334.db2.gz CWTAPPQTMHMKHH-QGZVFWFLSA-N 1 0 428.603 0.889 20 0 ICADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)C1 ZINC001615785786 1073118450 /nfs/dbraw/zinc/11/84/50/1073118450.db2.gz DUPIFWJERZCRHN-CABCVRRESA-N 1 0 449.581 0.893 20 0 ICADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)C1 ZINC001615785787 1073118357 /nfs/dbraw/zinc/11/83/57/1073118357.db2.gz DUPIFWJERZCRHN-GJZGRUSLSA-N 1 0 449.581 0.893 20 0 ICADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)C1 ZINC001615785788 1073118618 /nfs/dbraw/zinc/11/86/18/1073118618.db2.gz DUPIFWJERZCRHN-HUUCEWRRSA-N 1 0 449.581 0.893 20 0 ICADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)C1 ZINC001615785789 1073118384 /nfs/dbraw/zinc/11/83/84/1073118384.db2.gz DUPIFWJERZCRHN-LSDHHAIUSA-N 1 0 449.581 0.893 20 0 ICADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC[N@H+](CC)C3)CCN2C1=O ZINC001615785987 1073118598 /nfs/dbraw/zinc/11/85/98/1073118598.db2.gz IQNFIPTZTSHLHN-CVEARBPZSA-N 1 0 446.556 0.231 20 0 ICADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CC[N@H+](CC)C3)CCN2C1=O ZINC001615785988 1073118348 /nfs/dbraw/zinc/11/83/48/1073118348.db2.gz IQNFIPTZTSHLHN-HOTGVXAUSA-N 1 0 446.556 0.231 20 0 ICADRO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC[N@H+](CC)C3)CCN2C1=O ZINC001615785989 1073118490 /nfs/dbraw/zinc/11/84/90/1073118490.db2.gz IQNFIPTZTSHLHN-HZPDHXFCSA-N 1 0 446.556 0.231 20 0 ICADRO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CC[N@H+](CC)C3)CCN2C1=O ZINC001615785990 1073118532 /nfs/dbraw/zinc/11/85/32/1073118532.db2.gz IQNFIPTZTSHLHN-JKSUJKDBSA-N 1 0 446.556 0.231 20 0 ICADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001615786034 1073118316 /nfs/dbraw/zinc/11/83/16/1073118316.db2.gz JLRZCAXPVHVIJP-IIQAOJFUSA-N 1 0 440.614 0.827 20 0 ICADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001615786035 1073119179 /nfs/dbraw/zinc/11/91/79/1073119179.db2.gz JLRZCAXPVHVIJP-SZNINPNASA-N 1 0 440.614 0.827 20 0 ICADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)C1 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CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 ZINC001615813603 1073122776 /nfs/dbraw/zinc/12/27/76/1073122776.db2.gz HWCNXFZEOFSBET-SFHVURJKSA-N 1 0 447.584 0.684 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001615814500 1073122842 /nfs/dbraw/zinc/12/28/42/1073122842.db2.gz NNQLNRITSKEKBA-ARFHVFGLSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001615814501 1073122723 /nfs/dbraw/zinc/12/27/23/1073122723.db2.gz NNQLNRITSKEKBA-BZUAXINKSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001615814763 1073122763 /nfs/dbraw/zinc/12/27/63/1073122763.db2.gz PDQHTXVIHNKPQO-GDBMZVCRSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001615814766 1073123395 /nfs/dbraw/zinc/12/33/95/1073123395.db2.gz PDQHTXVIHNKPQO-GOEBONIOSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001615814769 1073123365 /nfs/dbraw/zinc/12/33/65/1073123365.db2.gz PDQHTXVIHNKPQO-HOCLYGCPSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001615814772 1073123387 /nfs/dbraw/zinc/12/33/87/1073123387.db2.gz PDQHTXVIHNKPQO-ZBFHGGJFSA-N 1 0 441.602 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 ZINC001615819150 1073123438 /nfs/dbraw/zinc/12/34/38/1073123438.db2.gz ARNJNISDUHNBDY-GOSISDBHSA-N 1 0 447.584 0.570 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 ZINC001615819151 1073123357 /nfs/dbraw/zinc/12/33/57/1073123357.db2.gz ARNJNISDUHNBDY-SFHVURJKSA-N 1 0 447.584 0.570 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615819410 1073123444 /nfs/dbraw/zinc/12/34/44/1073123444.db2.gz BRFNZVRJHVTDRH-DLBZAZTESA-N 1 0 433.557 0.226 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615819411 1073123352 /nfs/dbraw/zinc/12/33/52/1073123352.db2.gz BRFNZVRJHVTDRH-IAGOWNOFSA-N 1 0 433.557 0.226 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615819412 1073123335 /nfs/dbraw/zinc/12/33/35/1073123335.db2.gz BRFNZVRJHVTDRH-IRXDYDNUSA-N 1 0 433.557 0.226 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615819414 1073123408 /nfs/dbraw/zinc/12/34/08/1073123408.db2.gz BRFNZVRJHVTDRH-SJORKVTESA-N 1 0 433.557 0.226 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615820126 1073123372 /nfs/dbraw/zinc/12/33/72/1073123372.db2.gz ILUBUUQGPNNHQE-MOPGFXCFSA-N 1 0 444.584 0.965 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615820127 1073123435 /nfs/dbraw/zinc/12/34/35/1073123435.db2.gz ILUBUUQGPNNHQE-OALUTQOASA-N 1 0 444.584 0.965 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615820128 1073123315 /nfs/dbraw/zinc/12/33/15/1073123315.db2.gz ILUBUUQGPNNHQE-RBUKOAKNSA-N 1 0 444.584 0.965 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615820129 1073123416 /nfs/dbraw/zinc/12/34/16/1073123416.db2.gz ILUBUUQGPNNHQE-RTBURBONSA-N 1 0 444.584 0.965 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820230 1073123451 /nfs/dbraw/zinc/12/34/51/1073123451.db2.gz CONGJMJJKKBQHS-MSOLQXFVSA-N 1 0 447.584 0.835 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820231 1073123348 /nfs/dbraw/zinc/12/33/48/1073123348.db2.gz CONGJMJJKKBQHS-QZTJIDSGSA-N 1 0 447.584 0.835 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820232 1073123329 /nfs/dbraw/zinc/12/33/29/1073123329.db2.gz CONGJMJJKKBQHS-ROUUACIJSA-N 1 0 447.584 0.835 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820233 1073124063 /nfs/dbraw/zinc/12/40/63/1073124063.db2.gz CONGJMJJKKBQHS-ZWKOTPCHSA-N 1 0 447.584 0.835 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615820494 1073124071 /nfs/dbraw/zinc/12/40/71/1073124071.db2.gz DKITZYYDXXNYKM-LTIDMASMSA-N 1 0 434.541 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615820497 1073124024 /nfs/dbraw/zinc/12/40/24/1073124024.db2.gz DKITZYYDXXNYKM-QBPKDAKJSA-N 1 0 434.541 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615820499 1073124053 /nfs/dbraw/zinc/12/40/53/1073124053.db2.gz DKITZYYDXXNYKM-WCXIOVBPSA-N 1 0 434.541 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615820501 1073123969 /nfs/dbraw/zinc/12/39/69/1073123969.db2.gz DKITZYYDXXNYKM-YYIAUSFCSA-N 1 0 434.541 0.464 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615821171 1073123996 /nfs/dbraw/zinc/12/39/96/1073123996.db2.gz HUSMUYPQVWTISY-CVEARBPZSA-N 1 0 439.586 0.185 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615821172 1073124049 /nfs/dbraw/zinc/12/40/49/1073124049.db2.gz HUSMUYPQVWTISY-HOTGVXAUSA-N 1 0 439.586 0.185 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615821173 1073123985 /nfs/dbraw/zinc/12/39/85/1073123985.db2.gz HUSMUYPQVWTISY-HZPDHXFCSA-N 1 0 439.586 0.185 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615821174 1073123949 /nfs/dbraw/zinc/12/39/49/1073123949.db2.gz HUSMUYPQVWTISY-JKSUJKDBSA-N 1 0 439.586 0.185 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O ZINC001615821583 1073124016 /nfs/dbraw/zinc/12/40/16/1073124016.db2.gz RNJYJCBEFDLINV-INIZCTEOSA-N 1 0 441.602 0.260 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O ZINC001615821584 1073124006 /nfs/dbraw/zinc/12/40/06/1073124006.db2.gz RNJYJCBEFDLINV-MRXNPFEDSA-N 1 0 441.602 0.260 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001615822489 1073124042 /nfs/dbraw/zinc/12/40/42/1073124042.db2.gz RRFKYCQWOAZHKK-DLBZAZTESA-N 1 0 442.586 0.322 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001615822490 1073124032 /nfs/dbraw/zinc/12/40/32/1073124032.db2.gz RRFKYCQWOAZHKK-IAGOWNOFSA-N 1 0 442.586 0.322 20 0 ICADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001615822491 1073123916 /nfs/dbraw/zinc/12/39/16/1073123916.db2.gz RRFKYCQWOAZHKK-IRXDYDNUSA-N 1 0 442.586 0.322 20 0 ICADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001615822492 1073123959 /nfs/dbraw/zinc/12/39/59/1073123959.db2.gz RRFKYCQWOAZHKK-SJORKVTESA-N 1 0 442.586 0.322 20 0 ICADRO CCN1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001615823325 1073123940 /nfs/dbraw/zinc/12/39/40/1073123940.db2.gz BYQZFVGCTLAOGN-UHFFFAOYSA-N 1 0 447.584 0.420 20 0 ICADRO CCN1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)CCOC)CC1=O ZINC001615823733 1073124513 /nfs/dbraw/zinc/12/45/13/1073124513.db2.gz MWWHXARYSUCXQT-UHFFFAOYSA-N 1 0 435.573 0.541 20 0 ICADRO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)CC1=O ZINC001615824666 1073124541 /nfs/dbraw/zinc/12/45/41/1073124541.db2.gz LEPOPWSYEWKGOO-INIZCTEOSA-N 1 0 441.602 0.433 20 0 ICADRO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)CC1=O ZINC001615824667 1073124453 /nfs/dbraw/zinc/12/44/53/1073124453.db2.gz LEPOPWSYEWKGOO-MRXNPFEDSA-N 1 0 441.602 0.433 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCC2)CC1=O ZINC001615830794 1073126362 /nfs/dbraw/zinc/12/63/62/1073126362.db2.gz PAWGUEOGSVQMBE-KRWDZBQOSA-N 1 0 438.598 0.725 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCC2)CC1=O ZINC001615830795 1073126239 /nfs/dbraw/zinc/12/62/39/1073126239.db2.gz PAWGUEOGSVQMBE-QGZVFWFLSA-N 1 0 438.598 0.725 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)CC1=O ZINC001615830802 1073126346 /nfs/dbraw/zinc/12/63/46/1073126346.db2.gz PBMPGTHTFNPEJQ-INIZCTEOSA-N 1 0 426.587 0.579 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)CC1=O ZINC001615830803 1073126267 /nfs/dbraw/zinc/12/62/67/1073126267.db2.gz PBMPGTHTFNPEJQ-MRXNPFEDSA-N 1 0 426.587 0.579 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1=O ZINC001615831710 1073127028 /nfs/dbraw/zinc/12/70/28/1073127028.db2.gz UXWLMRNYYYAILU-KRWDZBQOSA-N 1 0 433.557 0.400 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1=O ZINC001615831711 1073127149 /nfs/dbraw/zinc/12/71/49/1073127149.db2.gz UXWLMRNYYYAILU-QGZVFWFLSA-N 1 0 433.557 0.400 20 0 ICADRO CCN1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001615834801 1073127853 /nfs/dbraw/zinc/12/78/53/1073127853.db2.gz UBIXERBVGRINKD-GOSISDBHSA-N 1 0 447.584 0.306 20 0 ICADRO CCN1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001615834802 1073127802 /nfs/dbraw/zinc/12/78/02/1073127802.db2.gz UBIXERBVGRINKD-SFHVURJKSA-N 1 0 447.584 0.306 20 0 ICADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@H]3CC[C@H](CO)O3)CC2)CC1 ZINC001615835570 1073127843 /nfs/dbraw/zinc/12/78/43/1073127843.db2.gz ALBMQKLXEHDJII-VQTJNVASSA-N 1 0 434.585 0.897 20 0 ICADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CC(=O)N3CCOCC3)CC2)CC1 ZINC001615835647 1073127711 /nfs/dbraw/zinc/12/77/11/1073127711.db2.gz DEFLBAFEPCIUEC-UHFFFAOYSA-N 1 0 447.584 0.216 20 0 ICADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CC[N@H+](C)CCOC)CC2)CC1 ZINC001615835735 1073127823 /nfs/dbraw/zinc/12/78/23/1073127823.db2.gz GSQFKVCTPHWARU-UHFFFAOYSA-N 1 0 435.617 0.935 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836224 1073127813 /nfs/dbraw/zinc/12/78/13/1073127813.db2.gz CSEQOBDWOAGZMC-CVEARBPZSA-N 1 0 445.659 0.468 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836225 1073127633 /nfs/dbraw/zinc/12/76/33/1073127633.db2.gz CSEQOBDWOAGZMC-HOTGVXAUSA-N 1 0 445.659 0.468 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836226 1073127728 /nfs/dbraw/zinc/12/77/28/1073127728.db2.gz CSEQOBDWOAGZMC-HZPDHXFCSA-N 1 0 445.659 0.468 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836227 1073127865 /nfs/dbraw/zinc/12/78/65/1073127865.db2.gz CSEQOBDWOAGZMC-JKSUJKDBSA-N 1 0 445.659 0.468 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615836371 1073128452 /nfs/dbraw/zinc/12/84/52/1073128452.db2.gz DIQLDOIIJPFBOK-IIBYNOLFSA-N 1 0 434.589 0.144 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615836372 1073128362 /nfs/dbraw/zinc/12/83/62/1073128362.db2.gz DIQLDOIIJPFBOK-KKSFZXQISA-N 1 0 434.589 0.144 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CCc2cnccn2)CC1 ZINC001615836540 1073128494 /nfs/dbraw/zinc/12/84/94/1073128494.db2.gz GXYGQIULXXNDND-GOSISDBHSA-N 1 0 443.600 0.911 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CCc2cnccn2)CC1 ZINC001615836541 1073128302 /nfs/dbraw/zinc/12/83/02/1073128302.db2.gz GXYGQIULXXNDND-SFHVURJKSA-N 1 0 443.600 0.911 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001615836621 1073128345 /nfs/dbraw/zinc/12/83/45/1073128345.db2.gz IGPMXFUCSKZBOE-KRWDZBQOSA-N 1 0 429.573 0.738 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001615836622 1073128432 /nfs/dbraw/zinc/12/84/32/1073128432.db2.gz IGPMXFUCSKZBOE-QGZVFWFLSA-N 1 0 429.573 0.738 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001615836648 1073128320 /nfs/dbraw/zinc/12/83/20/1073128320.db2.gz IYAKOVVBNVMPME-IBGZPJMESA-N 1 0 434.633 0.603 20 0 ICADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001615836649 1073128505 /nfs/dbraw/zinc/12/85/05/1073128505.db2.gz IYAKOVVBNVMPME-LJQANCHMSA-N 1 0 434.633 0.603 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCS(=O)CC2)CC1 ZINC001615836696 1073128564 /nfs/dbraw/zinc/12/85/64/1073128564.db2.gz JRXVARAEPTZVKF-INIZCTEOSA-N 1 0 425.603 0.011 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCS(=O)CC2)CC1 ZINC001615836697 1073128379 /nfs/dbraw/zinc/12/83/79/1073128379.db2.gz JRXVARAEPTZVKF-MRXNPFEDSA-N 1 0 425.603 0.011 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837238 1073128528 /nfs/dbraw/zinc/12/85/28/1073128528.db2.gz NAJJFMYBDRBMGW-AEFFLSMTSA-N 1 0 427.619 0.378 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837246 1073128468 /nfs/dbraw/zinc/12/84/68/1073128468.db2.gz NAJJFMYBDRBMGW-FUHWJXTLSA-N 1 0 427.619 0.378 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837248 1073128550 /nfs/dbraw/zinc/12/85/50/1073128550.db2.gz NAJJFMYBDRBMGW-SJLPKXTDSA-N 1 0 427.619 0.378 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837250 1073128395 /nfs/dbraw/zinc/12/83/95/1073128395.db2.gz NAJJFMYBDRBMGW-WMZOPIPTSA-N 1 0 427.619 0.378 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001615838962 1073128537 /nfs/dbraw/zinc/12/85/37/1073128537.db2.gz UXVBEKAIPXJNIX-MSOLQXFVSA-N 1 0 449.600 0.832 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001615838974 1073128269 /nfs/dbraw/zinc/12/82/69/1073128269.db2.gz UXVBEKAIPXJNIX-QZTJIDSGSA-N 1 0 449.600 0.832 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001615838977 1073128417 /nfs/dbraw/zinc/12/84/17/1073128417.db2.gz UXVBEKAIPXJNIX-ROUUACIJSA-N 1 0 449.600 0.832 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001615838981 1073128558 /nfs/dbraw/zinc/12/85/58/1073128558.db2.gz UXVBEKAIPXJNIX-ZWKOTPCHSA-N 1 0 449.600 0.832 20 0 ICADRO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001615839563 1073128543 /nfs/dbraw/zinc/12/85/43/1073128543.db2.gz VXNXWPMOWBWAPQ-UHFFFAOYSA-N 1 0 445.607 0.261 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615841458 1073129048 /nfs/dbraw/zinc/12/90/48/1073129048.db2.gz AGTHOXGWOUYTID-DLBZAZTESA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615841459 1073129188 /nfs/dbraw/zinc/12/91/88/1073129188.db2.gz AGTHOXGWOUYTID-IAGOWNOFSA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615841460 1073129081 /nfs/dbraw/zinc/12/90/81/1073129081.db2.gz AGTHOXGWOUYTID-IRXDYDNUSA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615841461 1073129208 /nfs/dbraw/zinc/12/92/08/1073129208.db2.gz AGTHOXGWOUYTID-SJORKVTESA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615841622 1073128973 /nfs/dbraw/zinc/12/89/73/1073128973.db2.gz DBOZCCUDKHPXRT-MSOLQXFVSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615841623 1073129150 /nfs/dbraw/zinc/12/91/50/1073129150.db2.gz DBOZCCUDKHPXRT-QZTJIDSGSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615841624 1073129139 /nfs/dbraw/zinc/12/91/39/1073129139.db2.gz DBOZCCUDKHPXRT-ROUUACIJSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615841625 1073129020 /nfs/dbraw/zinc/12/90/20/1073129020.db2.gz DBOZCCUDKHPXRT-ZWKOTPCHSA-N 1 0 428.585 0.977 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615841712 1073129176 /nfs/dbraw/zinc/12/91/76/1073129176.db2.gz FBWKHAJSJHRXDT-DLBZAZTESA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615841713 1073129102 /nfs/dbraw/zinc/12/91/02/1073129102.db2.gz FBWKHAJSJHRXDT-IAGOWNOFSA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615841714 1073129064 /nfs/dbraw/zinc/12/90/64/1073129064.db2.gz FBWKHAJSJHRXDT-IRXDYDNUSA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615841715 1073129195 /nfs/dbraw/zinc/12/91/95/1073129195.db2.gz FBWKHAJSJHRXDT-SJORKVTESA-N 1 0 427.557 0.428 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615841834 1073128997 /nfs/dbraw/zinc/12/89/97/1073128997.db2.gz GXJBUVGMRHTTNM-HKUYNNGSSA-N 1 0 442.568 0.317 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615841835 1073129125 /nfs/dbraw/zinc/12/91/25/1073129125.db2.gz GXJBUVGMRHTTNM-IEBWSBKVSA-N 1 0 442.568 0.317 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615841836 1073129164 /nfs/dbraw/zinc/12/91/64/1073129164.db2.gz GXJBUVGMRHTTNM-MJGOQNOKSA-N 1 0 442.568 0.317 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615841837 1073129089 /nfs/dbraw/zinc/12/90/89/1073129089.db2.gz GXJBUVGMRHTTNM-PKOBYXMFSA-N 1 0 442.568 0.317 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615841922 1073129161 /nfs/dbraw/zinc/12/91/61/1073129161.db2.gz IIPVXYGAIXPQIR-MSOLQXFVSA-N 1 0 447.609 0.989 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615841923 1073129117 /nfs/dbraw/zinc/12/91/17/1073129117.db2.gz IIPVXYGAIXPQIR-QZTJIDSGSA-N 1 0 447.609 0.989 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615841924 1073129035 /nfs/dbraw/zinc/12/90/35/1073129035.db2.gz IIPVXYGAIXPQIR-ROUUACIJSA-N 1 0 447.609 0.989 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615841925 1073129219 /nfs/dbraw/zinc/12/92/19/1073129219.db2.gz IIPVXYGAIXPQIR-ZWKOTPCHSA-N 1 0 447.609 0.989 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615842094 1073130052 /nfs/dbraw/zinc/13/00/52/1073130052.db2.gz JWPOKVQDTCEMFB-KRWDZBQOSA-N 1 0 439.630 0.653 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615842096 1073129734 /nfs/dbraw/zinc/12/97/34/1073129734.db2.gz JWPOKVQDTCEMFB-QGZVFWFLSA-N 1 0 439.630 0.653 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615842463 1073129812 /nfs/dbraw/zinc/12/98/12/1073129812.db2.gz FDYVGJPEFDOIKX-GOSISDBHSA-N 1 0 428.585 0.862 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615842465 1073130013 /nfs/dbraw/zinc/13/00/13/1073130013.db2.gz FDYVGJPEFDOIKX-SFHVURJKSA-N 1 0 428.585 0.862 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615842627 1073130039 /nfs/dbraw/zinc/13/00/39/1073130039.db2.gz HFKLSGCMECHSSA-DLBZAZTESA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615842628 1073129842 /nfs/dbraw/zinc/12/98/42/1073129842.db2.gz HFKLSGCMECHSSA-IAGOWNOFSA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615842629 1073130026 /nfs/dbraw/zinc/13/00/26/1073130026.db2.gz HFKLSGCMECHSSA-IRXDYDNUSA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615842630 1073130034 /nfs/dbraw/zinc/13/00/34/1073130034.db2.gz HFKLSGCMECHSSA-SJORKVTESA-N 1 0 428.603 0.289 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615842659 1073129991 /nfs/dbraw/zinc/12/99/91/1073129991.db2.gz OIMVMSPZPFJNFK-BHIYHBOVSA-N 1 0 434.585 0.932 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615842660 1073129876 /nfs/dbraw/zinc/12/98/76/1073129876.db2.gz OIMVMSPZPFJNFK-QXAKKESOSA-N 1 0 434.585 0.932 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615842843 1073129892 /nfs/dbraw/zinc/12/98/92/1073129892.db2.gz HVIMPIZIBFYMNC-GOSISDBHSA-N 1 0 426.569 0.568 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615842844 1073129786 /nfs/dbraw/zinc/12/97/86/1073129786.db2.gz HVIMPIZIBFYMNC-SFHVURJKSA-N 1 0 426.569 0.568 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615843133 1073129909 /nfs/dbraw/zinc/12/99/09/1073129909.db2.gz KPHXCXHKILVLPJ-MOPGFXCFSA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615843137 1073129859 /nfs/dbraw/zinc/12/98/59/1073129859.db2.gz KPHXCXHKILVLPJ-OALUTQOASA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615843139 1073129920 /nfs/dbraw/zinc/12/99/20/1073129920.db2.gz KPHXCXHKILVLPJ-RBUKOAKNSA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615843141 1073129975 /nfs/dbraw/zinc/12/99/75/1073129975.db2.gz KPHXCXHKILVLPJ-RTBURBONSA-N 1 0 440.596 0.957 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615843195 1073130560 /nfs/dbraw/zinc/13/05/60/1073130560.db2.gz LGGCPXFMLZGAEA-GOSISDBHSA-N 1 0 449.625 0.771 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615843197 1073130672 /nfs/dbraw/zinc/13/06/72/1073130672.db2.gz LGGCPXFMLZGAEA-SFHVURJKSA-N 1 0 449.625 0.771 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615843291 1073130571 /nfs/dbraw/zinc/13/05/71/1073130571.db2.gz LOHXGZOOTQVYSM-GUDVDZBRSA-N 1 0 436.601 0.863 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615843292 1073130508 /nfs/dbraw/zinc/13/05/08/1073130508.db2.gz LOHXGZOOTQVYSM-IPMKNSEASA-N 1 0 436.601 0.863 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615843401 1073130696 /nfs/dbraw/zinc/13/06/96/1073130696.db2.gz UZNUKEJQGYNJOU-GOSISDBHSA-N 1 0 444.584 0.594 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615843402 1073130755 /nfs/dbraw/zinc/13/07/55/1073130755.db2.gz UZNUKEJQGYNJOU-SFHVURJKSA-N 1 0 444.584 0.594 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001615843425 1073130609 /nfs/dbraw/zinc/13/06/09/1073130609.db2.gz VKXAVPMLOCGKDR-DLBZAZTESA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001615843426 1073130522 /nfs/dbraw/zinc/13/05/22/1073130522.db2.gz VKXAVPMLOCGKDR-IAGOWNOFSA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001615843427 1073130644 /nfs/dbraw/zinc/13/06/44/1073130644.db2.gz VKXAVPMLOCGKDR-IRXDYDNUSA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001615843428 1073130531 /nfs/dbraw/zinc/13/05/31/1073130531.db2.gz VKXAVPMLOCGKDR-SJORKVTESA-N 1 0 435.598 0.923 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001615843443 1073130656 /nfs/dbraw/zinc/13/06/56/1073130656.db2.gz VVNFNRYWKCUMDP-KRWDZBQOSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001615843444 1073130681 /nfs/dbraw/zinc/13/06/81/1073130681.db2.gz VVNFNRYWKCUMDP-QGZVFWFLSA-N 1 0 441.584 0.724 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615843457 1073130713 /nfs/dbraw/zinc/13/07/13/1073130713.db2.gz WGIMFTAZFFKQTP-GOSISDBHSA-N 1 0 441.584 0.828 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615843458 1073130620 /nfs/dbraw/zinc/13/06/20/1073130620.db2.gz WGIMFTAZFFKQTP-SFHVURJKSA-N 1 0 441.584 0.828 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001615843465 1073130727 /nfs/dbraw/zinc/13/07/27/1073130727.db2.gz WJANNSPDWWTUMI-MSOLQXFVSA-N 1 0 443.600 0.762 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001615843466 1073130769 /nfs/dbraw/zinc/13/07/69/1073130769.db2.gz WJANNSPDWWTUMI-QZTJIDSGSA-N 1 0 443.600 0.762 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001615843467 1073130542 /nfs/dbraw/zinc/13/05/42/1073130542.db2.gz WJANNSPDWWTUMI-ROUUACIJSA-N 1 0 443.600 0.762 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001615843468 1073130628 /nfs/dbraw/zinc/13/06/28/1073130628.db2.gz WJANNSPDWWTUMI-ZWKOTPCHSA-N 1 0 443.600 0.762 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615843510 1073130589 /nfs/dbraw/zinc/13/05/89/1073130589.db2.gz WZWSSXITGHFAER-HKUYNNGSSA-N 1 0 444.584 0.641 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615843511 1073130740 /nfs/dbraw/zinc/13/07/40/1073130740.db2.gz WZWSSXITGHFAER-IEBWSBKVSA-N 1 0 444.584 0.641 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615843512 1073131651 /nfs/dbraw/zinc/13/16/51/1073131651.db2.gz WZWSSXITGHFAER-MJGOQNOKSA-N 1 0 444.584 0.641 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615843513 1073131366 /nfs/dbraw/zinc/13/13/66/1073131366.db2.gz WZWSSXITGHFAER-PKOBYXMFSA-N 1 0 444.584 0.641 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001615843810 1073131776 /nfs/dbraw/zinc/13/17/76/1073131776.db2.gz YHPUGUSAOMWLDC-GOSISDBHSA-N 1 0 443.600 0.970 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001615843811 1073131518 /nfs/dbraw/zinc/13/15/18/1073131518.db2.gz YHPUGUSAOMWLDC-SFHVURJKSA-N 1 0 443.600 0.970 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCS(=O)CC2)CC1 ZINC001615844488 1073131583 /nfs/dbraw/zinc/13/15/83/1073131583.db2.gz FSXNDABBGOZFMB-IBGZPJMESA-N 1 0 448.641 0.734 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCS(=O)CC2)CC1 ZINC001615844501 1073131789 /nfs/dbraw/zinc/13/17/89/1073131789.db2.gz FSXNDABBGOZFMB-LJQANCHMSA-N 1 0 448.641 0.734 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615844637 1073131744 /nfs/dbraw/zinc/13/17/44/1073131744.db2.gz GXSLCVFMGCXHFA-DLBZAZTESA-N 1 0 434.589 0.127 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615844639 1073131727 /nfs/dbraw/zinc/13/17/27/1073131727.db2.gz GXSLCVFMGCXHFA-IAGOWNOFSA-N 1 0 434.589 0.127 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615844642 1073131449 /nfs/dbraw/zinc/13/14/49/1073131449.db2.gz GXSLCVFMGCXHFA-IRXDYDNUSA-N 1 0 434.589 0.127 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615844644 1073131688 /nfs/dbraw/zinc/13/16/88/1073131688.db2.gz GXSLCVFMGCXHFA-SJORKVTESA-N 1 0 434.589 0.127 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615845244 1073131500 /nfs/dbraw/zinc/13/15/00/1073131500.db2.gz XJTWPNZOIQASPT-FDDCHVKYSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615845245 1073131761 /nfs/dbraw/zinc/13/17/61/1073131761.db2.gz XJTWPNZOIQASPT-JPYJTQIMSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615845246 1073131609 /nfs/dbraw/zinc/13/16/09/1073131609.db2.gz XJTWPNZOIQASPT-MBSDFSHPSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615845247 1073131434 /nfs/dbraw/zinc/13/14/34/1073131434.db2.gz XJTWPNZOIQASPT-WZONZLPQSA-N 1 0 440.596 0.992 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615845473 1073131401 /nfs/dbraw/zinc/13/14/01/1073131401.db2.gz YXCZZGFAIMTEIB-CEXWTWQISA-N 1 0 449.600 0.497 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615845475 1073131560 /nfs/dbraw/zinc/13/15/60/1073131560.db2.gz YXCZZGFAIMTEIB-GUDVDZBRSA-N 1 0 449.600 0.497 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615845477 1073132285 /nfs/dbraw/zinc/13/22/85/1073132285.db2.gz YXCZZGFAIMTEIB-QRVBRYPASA-N 1 0 449.600 0.497 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615845479 1073132109 /nfs/dbraw/zinc/13/21/09/1073132109.db2.gz YXCZZGFAIMTEIB-QYZOEREBSA-N 1 0 449.600 0.497 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1=O ZINC001615845485 1073132414 /nfs/dbraw/zinc/13/24/14/1073132414.db2.gz ZEQNLHXZTBQWJU-MOPGFXCFSA-N 1 0 433.601 0.867 20 0 ICADRO CCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1=O ZINC001615845492 1073132473 /nfs/dbraw/zinc/13/24/73/1073132473.db2.gz ZEQNLHXZTBQWJU-OALUTQOASA-N 1 0 433.601 0.867 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1=O ZINC001615845493 1073132259 /nfs/dbraw/zinc/13/22/59/1073132259.db2.gz ZEQNLHXZTBQWJU-RBUKOAKNSA-N 1 0 433.601 0.867 20 0 ICADRO CCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1=O ZINC001615845494 1073132203 /nfs/dbraw/zinc/13/22/03/1073132203.db2.gz ZEQNLHXZTBQWJU-RTBURBONSA-N 1 0 433.601 0.867 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001615845791 1073132453 /nfs/dbraw/zinc/13/24/53/1073132453.db2.gz QUYWFFPYSICGRD-KRWDZBQOSA-N 1 0 445.543 0.958 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001615845792 1073132386 /nfs/dbraw/zinc/13/23/86/1073132386.db2.gz QUYWFFPYSICGRD-QGZVFWFLSA-N 1 0 445.543 0.958 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)C2)CC1 ZINC001615846054 1073132188 /nfs/dbraw/zinc/13/21/88/1073132188.db2.gz UMRRZPOIABHBDB-KRWDZBQOSA-N 1 0 445.543 0.958 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)C2)CC1 ZINC001615846055 1073132492 /nfs/dbraw/zinc/13/24/92/1073132492.db2.gz UMRRZPOIABHBDB-QGZVFWFLSA-N 1 0 445.543 0.958 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615846620 1073132403 /nfs/dbraw/zinc/13/24/03/1073132403.db2.gz ZEXNEXTZMFIMQX-HKUYNNGSSA-N 1 0 445.616 0.866 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615846621 1073132122 /nfs/dbraw/zinc/13/21/22/1073132122.db2.gz ZEXNEXTZMFIMQX-IEBWSBKVSA-N 1 0 445.616 0.866 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615846622 1073132244 /nfs/dbraw/zinc/13/22/44/1073132244.db2.gz ZEXNEXTZMFIMQX-MJGOQNOKSA-N 1 0 445.616 0.866 20 0 ICADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615846623 1073132435 /nfs/dbraw/zinc/13/24/35/1073132435.db2.gz ZEXNEXTZMFIMQX-PKOBYXMFSA-N 1 0 445.616 0.866 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001615847327 1073132310 /nfs/dbraw/zinc/13/23/10/1073132310.db2.gz ANDBVXAPIYDBMP-BBWFWOEESA-N 1 0 443.618 0.139 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001615847329 1073132067 /nfs/dbraw/zinc/13/20/67/1073132067.db2.gz ANDBVXAPIYDBMP-IKGGRYGDSA-N 1 0 443.618 0.139 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001615847331 1073133146 /nfs/dbraw/zinc/13/31/46/1073133146.db2.gz ANDBVXAPIYDBMP-ULQDDVLXSA-N 1 0 443.618 0.139 20 0 ICADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001615847332 1073133222 /nfs/dbraw/zinc/13/32/22/1073133222.db2.gz ANDBVXAPIYDBMP-ZACQAIPSSA-N 1 0 443.618 0.139 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615847446 1073133004 /nfs/dbraw/zinc/13/30/04/1073133004.db2.gz DMWAIWNSWHAKBC-CABCVRRESA-N 1 0 432.529 0.033 20 0 ICADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615847447 1073133139 /nfs/dbraw/zinc/13/31/39/1073133139.db2.gz DMWAIWNSWHAKBC-GJZGRUSLSA-N 1 0 432.529 0.033 20 0 ICADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001615847467 1073132992 /nfs/dbraw/zinc/13/29/92/1073132992.db2.gz FEFQQSYVGBGLOX-DLBZAZTESA-N 1 0 426.587 0.390 20 0 ICADRO 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CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001615877162 1073138176 /nfs/dbraw/zinc/13/81/76/1073138176.db2.gz UFCQUZYVJVOKES-ROUUACIJSA-N 1 0 446.600 0.681 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc[nH]4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001615877651 1073138161 /nfs/dbraw/zinc/13/81/61/1073138161.db2.gz VQPZDORUBRIPAN-KRWDZBQOSA-N 1 0 435.598 0.924 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc[nH]4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001615877652 1073138383 /nfs/dbraw/zinc/13/83/83/1073138383.db2.gz VQPZDORUBRIPAN-QGZVFWFLSA-N 1 0 435.598 0.924 20 0 ICADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615877907 1073138037 /nfs/dbraw/zinc/13/80/37/1073138037.db2.gz XQBLPLITYVLRND-KRWDZBQOSA-N 1 0 425.603 0.311 20 0 ICADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615877908 1073139112 /nfs/dbraw/zinc/13/91/12/1073139112.db2.gz XQBLPLITYVLRND-QGZVFWFLSA-N 1 0 425.603 0.311 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001615878809 1073139066 /nfs/dbraw/zinc/13/90/66/1073139066.db2.gz FNWCMUFBSPSLIC-KRWDZBQOSA-N 1 0 434.589 0.016 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001615878810 1073139027 /nfs/dbraw/zinc/13/90/27/1073139027.db2.gz FNWCMUFBSPSLIC-QGZVFWFLSA-N 1 0 434.589 0.016 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615878827 1073138815 /nfs/dbraw/zinc/13/88/15/1073138815.db2.gz FVVZFMCCTNOKDC-IBGZPJMESA-N 1 0 435.617 0.970 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615878828 1073139048 /nfs/dbraw/zinc/13/90/48/1073139048.db2.gz FVVZFMCCTNOKDC-LJQANCHMSA-N 1 0 435.617 0.970 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615878876 1073138873 /nfs/dbraw/zinc/13/88/73/1073138873.db2.gz GSOSHGFZJHMCHX-IRXDYDNUSA-N 1 0 427.619 0.330 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615878877 1073139008 /nfs/dbraw/zinc/13/90/08/1073139008.db2.gz GSOSHGFZJHMCHX-SJORKVTESA-N 1 0 427.619 0.330 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615879373 1073139084 /nfs/dbraw/zinc/13/90/84/1073139084.db2.gz PCCZFEJPUFOFEY-HTAPYJJXSA-N 1 0 448.616 0.392 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615879374 1073139097 /nfs/dbraw/zinc/13/90/97/1073139097.db2.gz PCCZFEJPUFOFEY-JTSKRJEESA-N 1 0 448.616 0.392 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615879375 1073138906 /nfs/dbraw/zinc/13/89/06/1073138906.db2.gz PCCZFEJPUFOFEY-VGOFRKELSA-N 1 0 448.616 0.392 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615879376 1073138837 /nfs/dbraw/zinc/13/88/37/1073138837.db2.gz PCCZFEJPUFOFEY-VGSWGCGISA-N 1 0 448.616 0.392 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001615879503 1073138953 /nfs/dbraw/zinc/13/89/53/1073138953.db2.gz RNQKTAQNCUVODO-IBGZPJMESA-N 1 0 448.616 0.434 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001615879504 1073138933 /nfs/dbraw/zinc/13/89/33/1073138933.db2.gz RNQKTAQNCUVODO-LJQANCHMSA-N 1 0 448.616 0.434 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615879697 1073138858 /nfs/dbraw/zinc/13/88/58/1073138858.db2.gz VXEFLJRKKILYFI-MSOLQXFVSA-N 1 0 448.616 0.488 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615879698 1073139074 /nfs/dbraw/zinc/13/90/74/1073139074.db2.gz VXEFLJRKKILYFI-QZTJIDSGSA-N 1 0 448.616 0.488 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615879699 1073138966 /nfs/dbraw/zinc/13/89/66/1073138966.db2.gz VXEFLJRKKILYFI-ROUUACIJSA-N 1 0 448.616 0.488 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615879700 1073138919 /nfs/dbraw/zinc/13/89/19/1073138919.db2.gz VXEFLJRKKILYFI-ZWKOTPCHSA-N 1 0 448.616 0.488 20 0 ICADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001615880505 1073138890 /nfs/dbraw/zinc/13/88/90/1073138890.db2.gz KRWYSPRIGOXGBB-GOSISDBHSA-N 1 0 426.631 0.985 20 0 ICADRO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001615880506 1073139689 /nfs/dbraw/zinc/13/96/89/1073139689.db2.gz KRWYSPRIGOXGBB-SFHVURJKSA-N 1 0 426.631 0.985 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001615881067 1073139669 /nfs/dbraw/zinc/13/96/69/1073139669.db2.gz SMXGRVVDQDUCRU-AZUAARDMSA-N 1 0 440.596 0.849 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001615881068 1073139769 /nfs/dbraw/zinc/13/97/69/1073139769.db2.gz SMXGRVVDQDUCRU-ICSRJNTNSA-N 1 0 440.596 0.849 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001615881069 1073139597 /nfs/dbraw/zinc/13/95/97/1073139597.db2.gz SMXGRVVDQDUCRU-QUCCMNQESA-N 1 0 440.596 0.849 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001615881070 1073139622 /nfs/dbraw/zinc/13/96/22/1073139622.db2.gz SMXGRVVDQDUCRU-UYAOXDASSA-N 1 0 440.596 0.849 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881500 1073139824 /nfs/dbraw/zinc/13/98/24/1073139824.db2.gz XASFBOBWLOEORJ-HKUYNNGSSA-N 1 0 441.584 0.929 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881503 1073139709 /nfs/dbraw/zinc/13/97/09/1073139709.db2.gz XASFBOBWLOEORJ-IEBWSBKVSA-N 1 0 441.584 0.929 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881507 1073139868 /nfs/dbraw/zinc/13/98/68/1073139868.db2.gz XASFBOBWLOEORJ-MJGOQNOKSA-N 1 0 441.584 0.929 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881511 1073139577 /nfs/dbraw/zinc/13/95/77/1073139577.db2.gz XASFBOBWLOEORJ-PKOBYXMFSA-N 1 0 441.584 0.929 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615881729 1073139698 /nfs/dbraw/zinc/13/96/98/1073139698.db2.gz FLQDOASXFJDQHC-GOSISDBHSA-N 1 0 428.585 0.836 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615881730 1073139646 /nfs/dbraw/zinc/13/96/46/1073139646.db2.gz FLQDOASXFJDQHC-SFHVURJKSA-N 1 0 428.585 0.836 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615882582 1073139544 /nfs/dbraw/zinc/13/95/44/1073139544.db2.gz PKFSUZDMHGJPOF-KRWDZBQOSA-N 1 0 429.573 0.231 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615882584 1073139741 /nfs/dbraw/zinc/13/97/41/1073139741.db2.gz PKFSUZDMHGJPOF-QGZVFWFLSA-N 1 0 429.573 0.231 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615883409 1073139719 /nfs/dbraw/zinc/13/97/19/1073139719.db2.gz YLGDXNUAWWCYEX-KRWDZBQOSA-N 1 0 429.573 0.581 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615883410 1073139754 /nfs/dbraw/zinc/13/97/54/1073139754.db2.gz YLGDXNUAWWCYEX-QGZVFWFLSA-N 1 0 429.573 0.581 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615883477 1073139807 /nfs/dbraw/zinc/13/98/07/1073139807.db2.gz ZHVAHSNBCXJRIH-MSOLQXFVSA-N 1 0 441.584 0.676 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615883478 1073139560 /nfs/dbraw/zinc/13/95/60/1073139560.db2.gz ZHVAHSNBCXJRIH-QZTJIDSGSA-N 1 0 441.584 0.676 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615883479 1073139792 /nfs/dbraw/zinc/13/97/92/1073139792.db2.gz ZHVAHSNBCXJRIH-ROUUACIJSA-N 1 0 441.584 0.676 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615883480 1073139838 /nfs/dbraw/zinc/13/98/38/1073139838.db2.gz ZHVAHSNBCXJRIH-ZWKOTPCHSA-N 1 0 441.584 0.676 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@@H]2C)CC1 ZINC001615884699 1073139851 /nfs/dbraw/zinc/13/98/51/1073139851.db2.gz FGRFCCQEZMVPQB-MOPGFXCFSA-N 1 0 433.601 0.899 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@@H]2C)CC1 ZINC001615884700 1073140147 /nfs/dbraw/zinc/14/01/47/1073140147.db2.gz FGRFCCQEZMVPQB-OALUTQOASA-N 1 0 433.601 0.899 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@H]2C)CC1 ZINC001615884701 1073140418 /nfs/dbraw/zinc/14/04/18/1073140418.db2.gz FGRFCCQEZMVPQB-RBUKOAKNSA-N 1 0 433.601 0.899 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@H]2C)CC1 ZINC001615884702 1073140517 /nfs/dbraw/zinc/14/05/17/1073140517.db2.gz FGRFCCQEZMVPQB-RTBURBONSA-N 1 0 433.601 0.899 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615884705 1073140441 /nfs/dbraw/zinc/14/04/41/1073140441.db2.gz FHVPORBMBIGUTN-GOSISDBHSA-N 1 0 448.616 0.501 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615884706 1073140362 /nfs/dbraw/zinc/14/03/62/1073140362.db2.gz FHVPORBMBIGUTN-SFHVURJKSA-N 1 0 448.616 0.501 20 0 ICADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OC)C2)CC1 ZINC001615885370 1073140462 /nfs/dbraw/zinc/14/04/62/1073140462.db2.gz QKZTUEQBPNULFS-MOPGFXCFSA-N 1 0 433.601 0.899 20 0 ICADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OC)C2)CC1 ZINC001615885371 1073140321 /nfs/dbraw/zinc/14/03/21/1073140321.db2.gz QKZTUEQBPNULFS-OALUTQOASA-N 1 0 433.601 0.899 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615885994 1073140452 /nfs/dbraw/zinc/14/04/52/1073140452.db2.gz NPDACQQTPMUDHI-UHFFFAOYSA-N 1 0 441.646 0.864 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001615886091 1073140350 /nfs/dbraw/zinc/14/03/50/1073140350.db2.gz XENJHDSEBWXSSE-GOSISDBHSA-N 1 0 449.600 0.833 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001615886092 1073140242 /nfs/dbraw/zinc/14/02/42/1073140242.db2.gz XENJHDSEBWXSSE-SFHVURJKSA-N 1 0 449.600 0.833 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@@H]3C2)CC1 ZINC001615887106 1073140198 /nfs/dbraw/zinc/14/01/98/1073140198.db2.gz CFCFPVJHBARSNB-DLBZAZTESA-N 1 0 449.556 0.558 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3OC(=O)O[C@@H]3C2)CC1 ZINC001615887107 1073140397 /nfs/dbraw/zinc/14/03/97/1073140397.db2.gz CFCFPVJHBARSNB-IAGOWNOFSA-N 1 0 449.556 0.558 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@H]3C2)CC1 ZINC001615887108 1073140287 /nfs/dbraw/zinc/14/02/87/1073140287.db2.gz CFCFPVJHBARSNB-IRXDYDNUSA-N 1 0 449.556 0.558 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3OC(=O)O[C@H]3C2)CC1 ZINC001615887109 1073140491 /nfs/dbraw/zinc/14/04/91/1073140491.db2.gz CFCFPVJHBARSNB-SJORKVTESA-N 1 0 449.556 0.558 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615887366 1073140260 /nfs/dbraw/zinc/14/02/60/1073140260.db2.gz FGILWAKPRBTDCG-KRWDZBQOSA-N 1 0 434.589 0.242 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615887367 1073140377 /nfs/dbraw/zinc/14/03/77/1073140377.db2.gz FGILWAKPRBTDCG-QGZVFWFLSA-N 1 0 434.589 0.242 20 0 ICADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001615888047 1073140480 /nfs/dbraw/zinc/14/04/80/1073140480.db2.gz GMSAJVAAKGQLFO-KRWDZBQOSA-N 1 0 427.557 0.464 20 0 ICADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001615888048 1073140181 /nfs/dbraw/zinc/14/01/81/1073140181.db2.gz GMSAJVAAKGQLFO-QGZVFWFLSA-N 1 0 427.557 0.464 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001615888141 1073141191 /nfs/dbraw/zinc/14/11/91/1073141191.db2.gz AMOKTPBIOBFTAE-UHFFFAOYSA-N 1 0 432.960 0.957 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C3CCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615888167 1073141206 /nfs/dbraw/zinc/14/12/06/1073141206.db2.gz HIMUIBVRUHMPEN-IBGZPJMESA-N 1 0 433.601 0.915 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C3CCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615888169 1073141165 /nfs/dbraw/zinc/14/11/65/1073141165.db2.gz HIMUIBVRUHMPEN-LJQANCHMSA-N 1 0 433.601 0.915 20 0 ICADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001615888210 1073141173 /nfs/dbraw/zinc/14/11/73/1073141173.db2.gz HTOUMTJSGHZFJP-UHFFFAOYSA-N 1 0 448.597 0.388 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001615888236 1073141115 /nfs/dbraw/zinc/14/11/15/1073141115.db2.gz AZZJCOYOQHCXCQ-UHFFFAOYSA-N 1 0 433.601 0.689 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001615888262 1073141083 /nfs/dbraw/zinc/14/10/83/1073141083.db2.gz BEEFQHOQZBBWDV-UHFFFAOYSA-N 1 0 427.619 0.522 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001615888326 1073141212 /nfs/dbraw/zinc/14/12/12/1073141212.db2.gz IGVIPLOGJATQTB-UHFFFAOYSA-N 1 0 446.644 0.783 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001615888346 1073141100 /nfs/dbraw/zinc/14/11/00/1073141100.db2.gz POUWOWSHCYYATJ-KRWDZBQOSA-N 1 0 434.589 0.146 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001615888420 1073141198 /nfs/dbraw/zinc/14/11/98/1073141198.db2.gz QSBLQPOHBWEBJX-JOCHJYFZSA-N 1 0 448.616 0.406 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001615888422 1073141011 /nfs/dbraw/zinc/14/10/11/1073141011.db2.gz QSBLQPOHBWEBJX-QFIPXVFZSA-N 1 0 448.616 0.406 20 0 ICADRO CCN1CC[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615888955 1073141138 /nfs/dbraw/zinc/14/11/38/1073141138.db2.gz OQHOALYBPUZVHI-UHFFFAOYSA-N 1 0 440.596 0.960 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615889102 1073141053 /nfs/dbraw/zinc/14/10/53/1073141053.db2.gz XGFVDSWWWAIWSD-KRWDZBQOSA-N 1 0 434.589 0.111 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615889103 1073141218 /nfs/dbraw/zinc/14/12/18/1073141218.db2.gz XGFVDSWWWAIWSD-QGZVFWFLSA-N 1 0 434.589 0.111 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615889384 1073141186 /nfs/dbraw/zinc/14/11/86/1073141186.db2.gz UHWURPDXLAPDQP-FQEVSTJZSA-N 1 0 433.601 0.915 20 0 ICADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615889385 1073140988 /nfs/dbraw/zinc/14/09/88/1073140988.db2.gz UHWURPDXLAPDQP-HXUWFJFHSA-N 1 0 433.601 0.915 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001615889482 1073141149 /nfs/dbraw/zinc/14/11/49/1073141149.db2.gz PYFVVWUJKAGULN-UHFFFAOYSA-N 1 0 427.619 0.380 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001615889581 1073141225 /nfs/dbraw/zinc/14/12/25/1073141225.db2.gz SGTJAZTVKOXJON-DENIHFKCSA-N 1 0 446.644 0.603 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001615889582 1073141179 /nfs/dbraw/zinc/14/11/79/1073141179.db2.gz SGTJAZTVKOXJON-KNQAVFIVSA-N 1 0 446.644 0.603 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001615889583 1073140945 /nfs/dbraw/zinc/14/09/45/1073140945.db2.gz SGTJAZTVKOXJON-SIKLNZKXSA-N 1 0 446.644 0.603 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001615889584 1073141035 /nfs/dbraw/zinc/14/10/35/1073141035.db2.gz SGTJAZTVKOXJON-UGKGYDQZSA-N 1 0 446.644 0.603 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001615889585 1073141717 /nfs/dbraw/zinc/14/17/17/1073141717.db2.gz SJFMEINDMDARAO-FQEVSTJZSA-N 1 0 446.644 0.747 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001615889586 1073141610 /nfs/dbraw/zinc/14/16/10/1073141610.db2.gz SJFMEINDMDARAO-HXUWFJFHSA-N 1 0 446.644 0.747 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615889656 1073141543 /nfs/dbraw/zinc/14/15/43/1073141543.db2.gz YMIZKRUTGVIUFM-IBGZPJMESA-N 1 0 448.616 0.661 20 0 ICADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615889659 1073141645 /nfs/dbraw/zinc/14/16/45/1073141645.db2.gz YMIZKRUTGVIUFM-LJQANCHMSA-N 1 0 448.616 0.661 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001615892753 1073141517 /nfs/dbraw/zinc/14/15/17/1073141517.db2.gz FJPDPXQKHFNODO-GOSISDBHSA-N 1 0 443.600 0.798 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001615892754 1073141470 /nfs/dbraw/zinc/14/14/70/1073141470.db2.gz FJPDPXQKHFNODO-SFHVURJKSA-N 1 0 443.600 0.798 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615892763 1073141697 /nfs/dbraw/zinc/14/16/97/1073141697.db2.gz FQDHTIQVGTXLIU-UHFFFAOYSA-N 1 0 438.602 0.187 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001615892845 1073141531 /nfs/dbraw/zinc/14/15/31/1073141531.db2.gz IAKDTCRJNBCKNC-IBGZPJMESA-N 1 0 448.616 0.025 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001615892846 1073141598 /nfs/dbraw/zinc/14/15/98/1073141598.db2.gz IAKDTCRJNBCKNC-LJQANCHMSA-N 1 0 448.616 0.025 20 0 ICADRO CC[NH+]1CCN(CCCn2c(C3CCC3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001615892849 1073141672 /nfs/dbraw/zinc/14/16/72/1073141672.db2.gz ICXRTRFIJUWVEX-UHFFFAOYSA-N 1 0 433.601 0.868 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615892866 1073141709 /nfs/dbraw/zinc/14/17/09/1073141709.db2.gz IVZJSEJENYWHRM-GOSISDBHSA-N 1 0 449.625 0.935 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615892867 1073141573 /nfs/dbraw/zinc/14/15/73/1073141573.db2.gz IVZJSEJENYWHRM-SFHVURJKSA-N 1 0 449.625 0.935 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001615892884 1073141557 /nfs/dbraw/zinc/14/15/57/1073141557.db2.gz JGCNFZWXZBVIMB-GOSISDBHSA-N 1 0 449.625 0.935 20 0 ICADRO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001615892885 1073141735 /nfs/dbraw/zinc/14/17/35/1073141735.db2.gz JGCNFZWXZBVIMB-SFHVURJKSA-N 1 0 449.625 0.935 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615892886 1073141660 /nfs/dbraw/zinc/14/16/60/1073141660.db2.gz JIRSAFRBIHVCTQ-IBGZPJMESA-N 1 0 442.568 0.319 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615892887 1073141495 /nfs/dbraw/zinc/14/14/95/1073141495.db2.gz JIRSAFRBIHVCTQ-LJQANCHMSA-N 1 0 442.568 0.319 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001615893006 1073141686 /nfs/dbraw/zinc/14/16/86/1073141686.db2.gz MHMTZXHYBWIFPK-UHFFFAOYSA-N 1 0 444.584 0.772 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615893024 1073141635 /nfs/dbraw/zinc/14/16/35/1073141635.db2.gz MVOCRJQIFBYDNX-GOSISDBHSA-N 1 0 430.557 0.252 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615893025 1073141506 /nfs/dbraw/zinc/14/15/06/1073141506.db2.gz MVOCRJQIFBYDNX-SFHVURJKSA-N 1 0 430.557 0.252 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001615893283 1073142287 /nfs/dbraw/zinc/14/22/87/1073142287.db2.gz VLWCQXBYQDZCQT-GOSISDBHSA-N 1 0 443.600 0.669 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001615893284 1073142266 /nfs/dbraw/zinc/14/22/66/1073142266.db2.gz VLWCQXBYQDZCQT-SFHVURJKSA-N 1 0 443.600 0.669 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001615893302 1073142419 /nfs/dbraw/zinc/14/24/19/1073142419.db2.gz VXKDPRVTHJZBPI-KRWDZBQOSA-N 1 0 428.541 0.762 20 0 ICADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001615893303 1073142219 /nfs/dbraw/zinc/14/22/19/1073142219.db2.gz VXKDPRVTHJZBPI-QGZVFWFLSA-N 1 0 428.541 0.762 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615893454 1073142252 /nfs/dbraw/zinc/14/22/52/1073142252.db2.gz ANNSNJKGIGCMTJ-IBGZPJMESA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615893455 1073142393 /nfs/dbraw/zinc/14/23/93/1073142393.db2.gz ANNSNJKGIGCMTJ-LJQANCHMSA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001615893478 1073142302 /nfs/dbraw/zinc/14/23/02/1073142302.db2.gz BMZZWGTVQDFKFS-HXUWFJFHSA-N 1 0 440.596 0.993 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@H]2C)CC1 ZINC001615893700 1073142421 /nfs/dbraw/zinc/14/24/21/1073142421.db2.gz FIDYAKVLUJKBLN-MSOLQXFVSA-N 1 0 440.614 0.433 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@H]2C)CC1 ZINC001615893701 1073142237 /nfs/dbraw/zinc/14/22/37/1073142237.db2.gz FIDYAKVLUJKBLN-QZTJIDSGSA-N 1 0 440.614 0.433 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001615893702 1073142339 /nfs/dbraw/zinc/14/23/39/1073142339.db2.gz FIDYAKVLUJKBLN-ROUUACIJSA-N 1 0 440.614 0.433 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001615893703 1073142436 /nfs/dbraw/zinc/14/24/36/1073142436.db2.gz FIDYAKVLUJKBLN-ZWKOTPCHSA-N 1 0 440.614 0.433 20 0 ICADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001615893963 1073142367 /nfs/dbraw/zinc/14/23/67/1073142367.db2.gz GVRKYRIREQFMIZ-MSOLQXFVSA-N 1 0 445.607 0.670 20 0 ICADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001615893964 1073142321 /nfs/dbraw/zinc/14/23/21/1073142321.db2.gz GVRKYRIREQFMIZ-QZTJIDSGSA-N 1 0 445.607 0.670 20 0 ICADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001615893965 1073142431 /nfs/dbraw/zinc/14/24/31/1073142431.db2.gz GVRKYRIREQFMIZ-ROUUACIJSA-N 1 0 445.607 0.670 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615894138 1073142349 /nfs/dbraw/zinc/14/23/49/1073142349.db2.gz IVOWZQULXNDQRW-IBGZPJMESA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615894140 1073142409 /nfs/dbraw/zinc/14/24/09/1073142409.db2.gz IVOWZQULXNDQRW-LJQANCHMSA-N 1 0 440.596 0.958 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001615894190 1073142277 /nfs/dbraw/zinc/14/22/77/1073142277.db2.gz JMWACTZPMYMUMJ-AVRDEDQJSA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001615894191 1073142379 /nfs/dbraw/zinc/14/23/79/1073142379.db2.gz JMWACTZPMYMUMJ-GCJKJVERSA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001615894192 1073142423 /nfs/dbraw/zinc/14/24/23/1073142423.db2.gz JMWACTZPMYMUMJ-PGRDOPGGSA-N 1 0 433.601 0.772 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001615894193 1073142897 /nfs/dbraw/zinc/14/28/97/1073142897.db2.gz JMWACTZPMYMUMJ-XMSQKQJNSA-N 1 0 433.601 0.772 20 0 ICADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001615894205 1073142426 /nfs/dbraw/zinc/14/24/26/1073142426.db2.gz GVRKYRIREQFMIZ-ZWKOTPCHSA-N 1 0 445.607 0.670 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1 ZINC001615894535 1073142689 /nfs/dbraw/zinc/14/26/89/1073142689.db2.gz NJLXPBZKTOCLCM-GOSISDBHSA-N 1 0 440.614 0.435 20 0 ICADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1 ZINC001615894539 1073142841 /nfs/dbraw/zinc/14/28/41/1073142841.db2.gz NJLXPBZKTOCLCM-SFHVURJKSA-N 1 0 440.614 0.435 20 0 ICADRO 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RZDMPUYWHDDFQN-UHFFFAOYSA-N 1 0 441.458 0.925 20 0 ICADRO C[NH+](C)CCN1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1=O ZINC001616428423 1073208577 /nfs/dbraw/zinc/20/85/77/1073208577.db2.gz UFEMKMMNQXZZOY-UHFFFAOYSA-N 1 0 449.556 0.696 20 0 ICADRO CCOC(=O)CNC(=O)C1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001616455333 1073209087 /nfs/dbraw/zinc/20/90/87/1073209087.db2.gz FUDYASKCLFRPOU-UHFFFAOYSA-N 1 0 426.558 0.930 20 0 ICADRO CCOC(=O)CNC(=O)C1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001616457450 1073208990 /nfs/dbraw/zinc/20/89/90/1073208990.db2.gz VPHIDJDCQLGZTA-INIZCTEOSA-N 1 0 447.598 0.379 20 0 ICADRO CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001616457452 1073209118 /nfs/dbraw/zinc/20/91/18/1073209118.db2.gz VPHIDJDCQLGZTA-MRXNPFEDSA-N 1 0 447.598 0.379 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001616471429 1073209469 /nfs/dbraw/zinc/20/94/69/1073209469.db2.gz ISPWLGOLPZMRDS-UHFFFAOYSA-N 1 0 439.601 0.988 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001616471462 1073209493 /nfs/dbraw/zinc/20/94/93/1073209493.db2.gz KBSPGCSYOJVSEK-UHFFFAOYSA-N 1 0 437.545 0.429 20 0 ICADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001616471634 1073209964 /nfs/dbraw/zinc/20/99/64/1073209964.db2.gz NCHLIOXJCUNXKD-GBXCKJPGSA-N 1 0 446.592 0.699 20 0 ICADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001616471635 1073210139 /nfs/dbraw/zinc/21/01/39/1073210139.db2.gz NCHLIOXJCUNXKD-HYBUGGRVSA-N 1 0 446.592 0.699 20 0 ICADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001616471636 1073210024 /nfs/dbraw/zinc/21/00/24/1073210024.db2.gz NCHLIOXJCUNXKD-RDPSFJRHSA-N 1 0 446.592 0.699 20 0 ICADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001616471637 1073209878 /nfs/dbraw/zinc/20/98/78/1073209878.db2.gz NCHLIOXJCUNXKD-YKSBVNFPSA-N 1 0 446.592 0.699 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001616472014 1073209950 /nfs/dbraw/zinc/20/99/50/1073209950.db2.gz RMNUOPVYQYLROB-DLBZAZTESA-N 1 0 426.558 0.929 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001616472015 1073210104 /nfs/dbraw/zinc/21/01/04/1073210104.db2.gz RMNUOPVYQYLROB-IAGOWNOFSA-N 1 0 426.558 0.929 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001616472017 1073209840 /nfs/dbraw/zinc/20/98/40/1073209840.db2.gz RMNUOPVYQYLROB-IRXDYDNUSA-N 1 0 426.558 0.929 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001616472019 1073209991 /nfs/dbraw/zinc/20/99/91/1073209991.db2.gz RMNUOPVYQYLROB-SJORKVTESA-N 1 0 426.558 0.929 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC001616481245 1073210759 /nfs/dbraw/zinc/21/07/59/1073210759.db2.gz SFTQZFCONCBJFP-CYBMUJFWSA-N 1 0 427.596 0.664 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1 ZINC001616481250 1073210618 /nfs/dbraw/zinc/21/06/18/1073210618.db2.gz SFTQZFCONCBJFP-ZDUSSCGKSA-N 1 0 427.596 0.664 20 0 ICADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cc(N(C)C)cc[nH+]3)c2)CC1 ZINC001616481808 1073210491 /nfs/dbraw/zinc/21/04/91/1073210491.db2.gz ZRHWDEVFFDKEOP-UHFFFAOYSA-N 1 0 445.545 0.930 20 0 ICADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CC1 ZINC001616481865 1073210540 /nfs/dbraw/zinc/21/05/40/1073210540.db2.gz ZLFMFDOYEPMUEO-MRXNPFEDSA-N 1 0 442.557 0.846 20 0 ICADRO CCOc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001616495283 1073211159 /nfs/dbraw/zinc/21/11/59/1073211159.db2.gz UFHRLHIFLMSHBE-CVEARBPZSA-N 1 0 443.556 0.695 20 0 ICADRO CCOc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001616495286 1073210966 /nfs/dbraw/zinc/21/09/66/1073210966.db2.gz UFHRLHIFLMSHBE-HOTGVXAUSA-N 1 0 443.556 0.695 20 0 ICADRO CCOc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001616495287 1073211137 /nfs/dbraw/zinc/21/11/37/1073211137.db2.gz UFHRLHIFLMSHBE-HZPDHXFCSA-N 1 0 443.556 0.695 20 0 ICADRO CCOc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001616495289 1073211150 /nfs/dbraw/zinc/21/11/50/1073211150.db2.gz UFHRLHIFLMSHBE-JKSUJKDBSA-N 1 0 443.556 0.695 20 0 ICADRO CCOc1ccnc(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)n1 ZINC001616495631 1073210998 /nfs/dbraw/zinc/21/09/98/1073210998.db2.gz UGPZTKHCFFQGSY-NRFANRHFSA-N 1 0 430.557 0.983 20 0 ICADRO CCOc1ccnc(N2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)n1 ZINC001616495633 1073211161 /nfs/dbraw/zinc/21/11/61/1073211161.db2.gz UGPZTKHCFFQGSY-OAQYLSRUSA-N 1 0 430.557 0.983 20 0 ICADRO C[NH+](C)CCSc1nc(CC(=O)NCCS(=O)(=O)N2CCSCC2)cs1 ZINC001616518414 1073213283 /nfs/dbraw/zinc/21/32/83/1073213283.db2.gz NJWZAKMVSRZHGN-UHFFFAOYSA-N 1 0 438.666 0.834 20 0 ICADRO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001616526541 1073213137 /nfs/dbraw/zinc/21/31/37/1073213137.db2.gz KXKAJWVEXHZFCY-SJORKVTESA-N 1 0 436.557 0.769 20 0 ICADRO O=C(Cc1nnc(C2CCOCC2)[nH]1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001616527151 1073213615 /nfs/dbraw/zinc/21/36/15/1073213615.db2.gz SFMDJVPTMSRGIO-UHFFFAOYSA-N 1 0 428.541 0.750 20 0 ICADRO O=C(CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC001616538110 1073213735 /nfs/dbraw/zinc/21/37/35/1073213735.db2.gz GEZHVGMOTPHGFG-INIZCTEOSA-N 1 0 425.507 0.870 20 0 ICADRO O=C(CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC001616538113 1073213776 /nfs/dbraw/zinc/21/37/76/1073213776.db2.gz GEZHVGMOTPHGFG-MRXNPFEDSA-N 1 0 425.507 0.870 20 0 ICADRO CN(C[C@](C)(O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548407 1073214158 /nfs/dbraw/zinc/21/41/58/1073214158.db2.gz GOZJHTAJKWOWPK-APWZRJJASA-N 1 0 435.587 0.731 20 0 ICADRO CN(C[C@](C)(O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548409 1073214052 /nfs/dbraw/zinc/21/40/52/1073214052.db2.gz GOZJHTAJKWOWPK-LPHOPBHVSA-N 1 0 435.587 0.731 20 0 ICADRO CN(C[C@@](C)(O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548411 1073214189 /nfs/dbraw/zinc/21/41/89/1073214189.db2.gz GOZJHTAJKWOWPK-QFBILLFUSA-N 1 0 435.587 0.731 20 0 ICADRO CN(C[C@@](C)(O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548413 1073214087 /nfs/dbraw/zinc/21/40/87/1073214087.db2.gz GOZJHTAJKWOWPK-VQIMIIECSA-N 1 0 435.587 0.731 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC001616565175 1073214905 /nfs/dbraw/zinc/21/49/05/1073214905.db2.gz LPSOHBAZKOIPOQ-FQEVSTJZSA-N 1 0 445.612 0.814 20 0 ICADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC001616565176 1073214965 /nfs/dbraw/zinc/21/49/65/1073214965.db2.gz LPSOHBAZKOIPOQ-HXUWFJFHSA-N 1 0 445.612 0.814 20 0 ICADRO CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001616571259 1073215637 /nfs/dbraw/zinc/21/56/37/1073215637.db2.gz KPSPPTCKLMVKAC-BQJIDLTASA-N 1 0 431.541 0.822 20 0 ICADRO CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001616571260 1073215748 /nfs/dbraw/zinc/21/57/48/1073215748.db2.gz KPSPPTCKLMVKAC-ZGGTZUKQSA-N 1 0 431.541 0.822 20 0 ICADRO CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001616576434 1073216650 /nfs/dbraw/zinc/21/66/50/1073216650.db2.gz SAXQYAMWBYPQOF-BAQZJKQNSA-N 1 0 436.557 0.316 20 0 ICADRO CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001616576435 1073216462 /nfs/dbraw/zinc/21/64/62/1073216462.db2.gz SAXQYAMWBYPQOF-CLIJALBYSA-N 1 0 436.557 0.316 20 0 ICADRO CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001616576436 1073216383 /nfs/dbraw/zinc/21/63/83/1073216383.db2.gz SAXQYAMWBYPQOF-DILDSAGESA-N 1 0 436.557 0.316 20 0 ICADRO CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001616576437 1073216589 /nfs/dbraw/zinc/21/65/89/1073216589.db2.gz SAXQYAMWBYPQOF-HRXNXTQESA-N 1 0 436.557 0.316 20 0 ICADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1 ZINC001616580711 1073217365 /nfs/dbraw/zinc/21/73/65/1073217365.db2.gz XLXSMIJVRBUMLK-KRWDZBQOSA-N 1 0 429.452 0.552 20 0 ICADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1 ZINC001616580716 1073217314 /nfs/dbraw/zinc/21/73/14/1073217314.db2.gz XLXSMIJVRBUMLK-QGZVFWFLSA-N 1 0 429.452 0.552 20 0 ICADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001616654541 1073220166 /nfs/dbraw/zinc/22/01/66/1073220166.db2.gz PZQFFDPYXYHDEA-GDBMZVCRSA-N 1 0 431.580 0.537 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001616654542 1073220090 /nfs/dbraw/zinc/22/00/90/1073220090.db2.gz PZQFFDPYXYHDEA-GOEBONIOSA-N 1 0 431.580 0.537 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001616654543 1073220172 /nfs/dbraw/zinc/22/01/72/1073220172.db2.gz PZQFFDPYXYHDEA-HOCLYGCPSA-N 1 0 431.580 0.537 20 0 ICADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001616654544 1073220202 /nfs/dbraw/zinc/22/02/02/1073220202.db2.gz PZQFFDPYXYHDEA-ZBFHGGJFSA-N 1 0 431.580 0.537 20 0 ICADRO CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001616668971 1073220566 /nfs/dbraw/zinc/22/05/66/1073220566.db2.gz AKDOYFOXZWYSGP-DLBZAZTESA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001616668972 1073220580 /nfs/dbraw/zinc/22/05/80/1073220580.db2.gz AKDOYFOXZWYSGP-IAGOWNOFSA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001616668973 1073220505 /nfs/dbraw/zinc/22/05/05/1073220505.db2.gz AKDOYFOXZWYSGP-IRXDYDNUSA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001616668974 1073220530 /nfs/dbraw/zinc/22/05/30/1073220530.db2.gz AKDOYFOXZWYSGP-SJORKVTESA-N 1 0 428.603 0.464 20 0 ICADRO CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001616673714 1073221028 /nfs/dbraw/zinc/22/10/28/1073221028.db2.gz YIQNGVOSCUREFX-UHFFFAOYSA-N 1 0 437.589 0.136 20 0 ICADRO CCOCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001616711092 1073221784 /nfs/dbraw/zinc/22/17/84/1073221784.db2.gz GQYVBTGCTIOVNZ-INIZCTEOSA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001616711093 1073221877 /nfs/dbraw/zinc/22/18/77/1073221877.db2.gz GQYVBTGCTIOVNZ-MRXNPFEDSA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CC[NH+]1CCCC1 ZINC001616726918 1073223503 /nfs/dbraw/zinc/22/35/03/1073223503.db2.gz QYELUCOZDSRTDJ-AZUAARDMSA-N 1 0 433.601 0.899 20 0 ICADRO CCOCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+]1CCCC1 ZINC001616726919 1073223569 /nfs/dbraw/zinc/22/35/69/1073223569.db2.gz QYELUCOZDSRTDJ-ICSRJNTNSA-N 1 0 433.601 0.899 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1CC[NH+]1CCCC1 ZINC001616726920 1073223509 /nfs/dbraw/zinc/22/35/09/1073223509.db2.gz QYELUCOZDSRTDJ-QUCCMNQESA-N 1 0 433.601 0.899 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CC[NH+]1CCCC1 ZINC001616726921 1073223574 /nfs/dbraw/zinc/22/35/74/1073223574.db2.gz QYELUCOZDSRTDJ-UYAOXDASSA-N 1 0 433.601 0.899 20 0 ICADRO CCOCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCNC(C)=O ZINC001616727015 1073223462 /nfs/dbraw/zinc/22/34/62/1073223462.db2.gz SHZLHXOCJQRXHX-FXAWDEMLSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCNC(C)=O ZINC001616727016 1073223517 /nfs/dbraw/zinc/22/35/17/1073223517.db2.gz SHZLHXOCJQRXHX-PXNSSMCTSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCNC(C)=O ZINC001616727017 1073223557 /nfs/dbraw/zinc/22/35/57/1073223557.db2.gz SHZLHXOCJQRXHX-XLIONFOSSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCNC(C)=O ZINC001616727018 1073223440 /nfs/dbraw/zinc/22/34/40/1073223440.db2.gz SHZLHXOCJQRXHX-YLJYHZDGSA-N 1 0 449.600 0.720 20 0 ICADRO COc1cc([C@@H](C)[NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC001616763918 1073225095 /nfs/dbraw/zinc/22/50/95/1073225095.db2.gz NSTDWTLYCDTAEV-CYBMUJFWSA-N 1 0 429.539 0.903 20 0 ICADRO COc1cc([C@H](C)[NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC001616763922 1073225301 /nfs/dbraw/zinc/22/53/01/1073225301.db2.gz NSTDWTLYCDTAEV-ZDUSSCGKSA-N 1 0 429.539 0.903 20 0 ICADRO CCOCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001616765597 1073225554 /nfs/dbraw/zinc/22/55/54/1073225554.db2.gz QUFIUNDOOTWHEY-DENIHFKCSA-N 1 0 436.601 0.962 20 0 ICADRO CCOCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001616765600 1073225469 /nfs/dbraw/zinc/22/54/69/1073225469.db2.gz QUFIUNDOOTWHEY-KNQAVFIVSA-N 1 0 436.601 0.962 20 0 ICADRO CCOCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001616765601 1073225429 /nfs/dbraw/zinc/22/54/29/1073225429.db2.gz QUFIUNDOOTWHEY-SIKLNZKXSA-N 1 0 436.601 0.962 20 0 ICADRO CCOCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001616765605 1073225316 /nfs/dbraw/zinc/22/53/16/1073225316.db2.gz QUFIUNDOOTWHEY-UGKGYDQZSA-N 1 0 436.601 0.962 20 0 ICADRO CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCS(=O)(=O)CC ZINC001616791603 1073226675 /nfs/dbraw/zinc/22/66/75/1073226675.db2.gz VASZRVGLZHVEFN-UHFFFAOYSA-N 1 0 429.587 0.798 20 0 ICADRO COCCN(CC[NH+](C)C)C(=O)c1cc(I)ccc1-n1cnnn1 ZINC001616799465 1073227232 /nfs/dbraw/zinc/22/72/32/1073227232.db2.gz QWRQTXDLGXICHJ-UHFFFAOYSA-N 1 0 444.277 0.917 20 0 ICADRO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001616802636 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426.587 0.817 20 0 ICADRO CCOCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832102 1073229287 /nfs/dbraw/zinc/22/92/87/1073229287.db2.gz OTHWUTIPFHKWOO-NVXWUHKLSA-N 1 0 426.587 0.817 20 0 ICADRO CCOCc1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832104 1073229386 /nfs/dbraw/zinc/22/93/86/1073229386.db2.gz OTHWUTIPFHKWOO-RDJZCZTQSA-N 1 0 426.587 0.817 20 0 ICADRO CCOCc1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832106 1073229300 /nfs/dbraw/zinc/22/93/00/1073229300.db2.gz OTHWUTIPFHKWOO-WBVHZDCISA-N 1 0 426.587 0.817 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001616855687 1073230216 /nfs/dbraw/zinc/23/02/16/1073230216.db2.gz LJYPZPJBPZVFPF-CVEARBPZSA-N 1 0 431.545 0.831 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001616855692 1073230143 /nfs/dbraw/zinc/23/01/43/1073230143.db2.gz LJYPZPJBPZVFPF-HOTGVXAUSA-N 1 0 431.545 0.831 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001616855694 1073230274 /nfs/dbraw/zinc/23/02/74/1073230274.db2.gz LJYPZPJBPZVFPF-HZPDHXFCSA-N 1 0 431.545 0.831 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001616855696 1073230161 /nfs/dbraw/zinc/23/01/61/1073230161.db2.gz LJYPZPJBPZVFPF-JKSUJKDBSA-N 1 0 431.545 0.831 20 0 ICADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc1 ZINC001616856632 1073230249 /nfs/dbraw/zinc/23/02/49/1073230249.db2.gz KAXRZWJZKYCGIY-GFCCVEGCSA-N 1 0 438.472 0.724 20 0 ICADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc1 ZINC001616856638 1073230232 /nfs/dbraw/zinc/23/02/32/1073230232.db2.gz KAXRZWJZKYCGIY-LBPRGKRZSA-N 1 0 438.472 0.724 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001616863626 1073230751 /nfs/dbraw/zinc/23/07/51/1073230751.db2.gz LVHWSFBGLOYTKN-KRWDZBQOSA-N 1 0 429.587 0.940 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001616863643 1073230630 /nfs/dbraw/zinc/23/06/30/1073230630.db2.gz LVHWSFBGLOYTKN-QGZVFWFLSA-N 1 0 429.587 0.940 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001616864549 1073230953 /nfs/dbraw/zinc/23/09/53/1073230953.db2.gz UDTUHXDIJRWFER-MSOLQXFVSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001616864551 1073231165 /nfs/dbraw/zinc/23/11/65/1073231165.db2.gz UDTUHXDIJRWFER-QZTJIDSGSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001616864554 1073231068 /nfs/dbraw/zinc/23/10/68/1073231068.db2.gz UDTUHXDIJRWFER-ROUUACIJSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001616864556 1073231104 /nfs/dbraw/zinc/23/11/04/1073231104.db2.gz UDTUHXDIJRWFER-ZWKOTPCHSA-N 1 0 442.630 0.854 20 0 ICADRO CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001616865169 1073231031 /nfs/dbraw/zinc/23/10/31/1073231031.db2.gz ZARFCZOFYFSWRF-INIZCTEOSA-N 1 0 429.587 0.939 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001616865171 1073231180 /nfs/dbraw/zinc/23/11/80/1073231180.db2.gz ZARFCZOFYFSWRF-MRXNPFEDSA-N 1 0 429.587 0.939 20 0 ICADRO NS(=O)(=O)C1CC[NH+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001616880552 1073231993 /nfs/dbraw/zinc/23/19/93/1073231993.db2.gz LJSQGZYRBDEHKY-UHFFFAOYSA-N 1 0 444.579 0.553 20 0 ICADRO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001616887567 1073232309 /nfs/dbraw/zinc/23/23/09/1073232309.db2.gz SQYFZZDJIWVZOP-INIZCTEOSA-N 1 0 426.587 0.771 20 0 ICADRO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001616887568 1073232385 /nfs/dbraw/zinc/23/23/85/1073232385.db2.gz SQYFZZDJIWVZOP-MRXNPFEDSA-N 1 0 426.587 0.771 20 0 ICADRO CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001616890142 1073232819 /nfs/dbraw/zinc/23/28/19/1073232819.db2.gz PPTHHGGNHUDYTN-IRXDYDNUSA-N 1 0 449.556 0.351 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001616890819 1073232688 /nfs/dbraw/zinc/23/26/88/1073232688.db2.gz AAJODNXYIDMSFV-UHFFFAOYSA-N 1 0 433.557 0.250 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+](CC)C(C)C ZINC001616891007 1073232802 /nfs/dbraw/zinc/23/28/02/1073232802.db2.gz FVRMFLRDMWVSBW-UHFFFAOYSA-N 1 0 437.589 0.718 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001616891068 1073232935 /nfs/dbraw/zinc/23/29/35/1073232935.db2.gz HZHLRSVPZOCYCX-GOSISDBHSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001616891069 1073232816 /nfs/dbraw/zinc/23/28/16/1073232816.db2.gz HZHLRSVPZOCYCX-SFHVURJKSA-N 1 0 447.584 0.616 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001616891218 1073233222 /nfs/dbraw/zinc/23/32/22/1073233222.db2.gz NZBHRULPKYAVEG-GOSISDBHSA-N 1 0 449.600 0.862 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001616891219 1073233361 /nfs/dbraw/zinc/23/33/61/1073233361.db2.gz NZBHRULPKYAVEG-SFHVURJKSA-N 1 0 449.600 0.862 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001616891278 1073233291 /nfs/dbraw/zinc/23/32/91/1073233291.db2.gz QHDMPDZJAKKGKJ-GOSISDBHSA-N 1 0 447.584 0.427 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001616891279 1073233369 /nfs/dbraw/zinc/23/33/69/1073233369.db2.gz QHDMPDZJAKKGKJ-SFHVURJKSA-N 1 0 447.584 0.427 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001616891699 1073233269 /nfs/dbraw/zinc/23/32/69/1073233269.db2.gz YJZJWQWOBQKHRQ-UHFFFAOYSA-N 1 0 447.584 0.616 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC001616892968 1073233252 /nfs/dbraw/zinc/23/32/52/1073233252.db2.gz UVJPWPVEPYVXQJ-GOSISDBHSA-N 1 0 439.578 0.900 20 0 ICADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC001616892971 1073233709 /nfs/dbraw/zinc/23/37/09/1073233709.db2.gz UVJPWPVEPYVXQJ-SFHVURJKSA-N 1 0 439.578 0.900 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCNC(=O)C(C)(C)C ZINC001616896579 1073233668 /nfs/dbraw/zinc/23/36/68/1073233668.db2.gz DEFSLQVYCVETQU-KRWDZBQOSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCc1nc(C)no1 ZINC001616896615 1073233836 /nfs/dbraw/zinc/23/38/36/1073233836.db2.gz DDZVTQVEVFWQMB-UHFFFAOYSA-N 1 0 446.556 0.883 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCNC(=O)C(C)(C)C ZINC001616896673 1073233769 /nfs/dbraw/zinc/23/37/69/1073233769.db2.gz DEFSLQVYCVETQU-QGZVFWFLSA-N 1 0 449.600 0.720 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[S@](=O)CC ZINC001616896703 1073233749 /nfs/dbraw/zinc/23/37/49/1073233749.db2.gz FIONZKXFTAAFBJ-GDLZYMKVSA-N 1 0 426.587 0.328 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[S@@](=O)CC ZINC001616896704 1073233733 /nfs/dbraw/zinc/23/37/33/1073233733.db2.gz FIONZKXFTAAFBJ-LJAQVGFWSA-N 1 0 426.587 0.328 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001616896710 1073233814 /nfs/dbraw/zinc/23/38/14/1073233814.db2.gz FPITWYZJUDBDMV-KRWDZBQOSA-N 1 0 447.584 0.474 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001616896719 1073233693 /nfs/dbraw/zinc/23/36/93/1073233693.db2.gz FPITWYZJUDBDMV-QGZVFWFLSA-N 1 0 447.584 0.474 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001616896776 1073233853 /nfs/dbraw/zinc/23/38/53/1073233853.db2.gz GECKAMCWEPMWQS-UHFFFAOYSA-N 1 0 435.573 0.331 20 0 ICADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1nccnc1C ZINC001616897061 1073234136 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/nfs/dbraw/zinc/32/23/56/1073322356.db2.gz RJTNTYNWFQRZDV-LJQANCHMSA-N 1 0 433.601 0.603 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001617626675 1073322312 /nfs/dbraw/zinc/32/23/12/1073322312.db2.gz RMOOMUHCYJDHFD-GOSISDBHSA-N 1 0 449.600 0.103 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001617626676 1073322277 /nfs/dbraw/zinc/32/22/77/1073322277.db2.gz RMOOMUHCYJDHFD-SFHVURJKSA-N 1 0 449.600 0.103 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001617627158 1073322403 /nfs/dbraw/zinc/32/24/03/1073322403.db2.gz VWCWUUUDZUSGHZ-FQEVSTJZSA-N 1 0 447.628 0.993 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001617627159 1073322234 /nfs/dbraw/zinc/32/22/34/1073322234.db2.gz VWCWUUUDZUSGHZ-HXUWFJFHSA-N 1 0 447.628 0.993 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001617627267 1073322807 /nfs/dbraw/zinc/32/28/07/1073322807.db2.gz XBSWSTCNECSSID-UHFFFAOYSA-N 1 0 446.644 0.782 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1)C1CC1 ZINC001617642513 1073323266 /nfs/dbraw/zinc/32/32/66/1073323266.db2.gz IXFPIIKXEMPEJK-CVEARBPZSA-N 1 0 444.627 0.504 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1)C1CC1 ZINC001617642514 1073323212 /nfs/dbraw/zinc/32/32/12/1073323212.db2.gz IXFPIIKXEMPEJK-HOTGVXAUSA-N 1 0 444.627 0.504 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1)C1CC1 ZINC001617642515 1073323064 /nfs/dbraw/zinc/32/30/64/1073323064.db2.gz IXFPIIKXEMPEJK-HZPDHXFCSA-N 1 0 444.627 0.504 20 0 ICADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1)C1CC1 ZINC001617642516 1073323154 /nfs/dbraw/zinc/32/31/54/1073323154.db2.gz IXFPIIKXEMPEJK-JKSUJKDBSA-N 1 0 444.627 0.504 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 ZINC001617643639 1073323145 /nfs/dbraw/zinc/32/31/45/1073323145.db2.gz RNLXQUJWMHLSDP-BHYGNILZSA-N 1 0 438.598 0.612 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 ZINC001617643640 1073323044 /nfs/dbraw/zinc/32/30/44/1073323044.db2.gz RNLXQUJWMHLSDP-DJIMGWMZSA-N 1 0 438.598 0.612 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 ZINC001617643641 1073323220 /nfs/dbraw/zinc/32/32/20/1073323220.db2.gz RNLXQUJWMHLSDP-HYVNUMGLSA-N 1 0 438.598 0.612 20 0 ICADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 ZINC001617643642 1073323305 /nfs/dbraw/zinc/32/33/05/1073323305.db2.gz RNLXQUJWMHLSDP-USXIJHARSA-N 1 0 438.598 0.612 20 0 ICADRO C[NH+](C)[C@@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)C1CC1 ZINC001617649155 1073323679 /nfs/dbraw/zinc/32/36/79/1073323679.db2.gz YDWIIOZXQKIRKE-KRWDZBQOSA-N 1 0 431.585 0.843 20 0 ICADRO C[NH+](C)[C@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)C1CC1 ZINC001617649157 1073323649 /nfs/dbraw/zinc/32/36/49/1073323649.db2.gz YDWIIOZXQKIRKE-QGZVFWFLSA-N 1 0 431.585 0.843 20 0 ICADRO C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CCOCC1 ZINC001617651292 1073324164 /nfs/dbraw/zinc/32/41/64/1073324164.db2.gz BATRFAOIQZQVIV-FQEVSTJZSA-N 1 0 433.557 0.327 20 0 ICADRO C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCOCC1 ZINC001617651295 1073324198 /nfs/dbraw/zinc/32/41/98/1073324198.db2.gz BATRFAOIQZQVIV-HXUWFJFHSA-N 1 0 433.557 0.327 20 0 ICADRO C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(OCC(N)=O)CC2)CCCC1 ZINC001617651377 1073323942 /nfs/dbraw/zinc/32/39/42/1073323942.db2.gz CBLMEQTWOZHSFM-UHFFFAOYSA-N 1 0 447.584 0.859 20 0 ICADRO Cn1cc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC2([NH+](C)C)CCOCC2)cn1 ZINC001617652124 1073324120 /nfs/dbraw/zinc/32/41/20/1073324120.db2.gz RHRKWAHIVURUPA-UHFFFAOYSA-N 1 0 430.557 0.881 20 0 ICADRO Cn1cccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001617652128 1073323985 /nfs/dbraw/zinc/32/39/85/1073323985.db2.gz RJIBVWPDJBJLCB-UHFFFAOYSA-N 1 0 445.568 0.865 20 0 ICADRO C[NH+](C)C1(Cn2c(C3CC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCOCC1 ZINC001617652513 1073324204 /nfs/dbraw/zinc/32/42/04/1073324204.db2.gz ZDOBMJYMOYVWDM-UHFFFAOYSA-N 1 0 426.587 0.784 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)CC2)CCSC1 ZINC001617653783 1073324094 /nfs/dbraw/zinc/32/40/94/1073324094.db2.gz ZLXCUQFSOABWKL-IBGZPJMESA-N 1 0 449.606 0.931 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)CC2)CCSC1 ZINC001617653784 1073324218 /nfs/dbraw/zinc/32/42/18/1073324218.db2.gz ZLXCUQFSOABWKL-LJQANCHMSA-N 1 0 449.606 0.931 20 0 ICADRO CC1(C)OCC(CO)([NH2+]CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CO1 ZINC001617654659 1073323896 /nfs/dbraw/zinc/32/38/96/1073323896.db2.gz STMAGQFGEVQJBC-UHFFFAOYSA-N 1 0 441.550 0.903 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001617655469 1073324071 /nfs/dbraw/zinc/32/40/71/1073324071.db2.gz ITAFLTXYPZUINP-CVEARBPZSA-N 1 0 427.571 0.516 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001617655472 1073323954 /nfs/dbraw/zinc/32/39/54/1073323954.db2.gz ITAFLTXYPZUINP-HOTGVXAUSA-N 1 0 427.571 0.516 20 0 ICADRO C[NH+](C)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001617655474 1073324136 /nfs/dbraw/zinc/32/41/36/1073324136.db2.gz ITAFLTXYPZUINP-HZPDHXFCSA-N 1 0 427.571 0.516 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001617655476 1073323912 /nfs/dbraw/zinc/32/39/12/1073323912.db2.gz ITAFLTXYPZUINP-JKSUJKDBSA-N 1 0 427.571 0.516 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CCSC1 ZINC001617655596 1073324016 /nfs/dbraw/zinc/32/40/16/1073324016.db2.gz KJKVTWVRNJIEBF-CRAIPNDOSA-N 1 0 429.612 0.844 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CCSC1 ZINC001617655598 1073323877 /nfs/dbraw/zinc/32/38/77/1073323877.db2.gz KJKVTWVRNJIEBF-MAUKXSAKSA-N 1 0 429.612 0.844 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CCSC1 ZINC001617655600 1073324528 /nfs/dbraw/zinc/32/45/28/1073324528.db2.gz KJKVTWVRNJIEBF-QAPCUYQASA-N 1 0 429.612 0.844 20 0 ICADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CCSC1 ZINC001617655601 1073324631 /nfs/dbraw/zinc/32/46/31/1073324631.db2.gz KJKVTWVRNJIEBF-YJBOKZPZSA-N 1 0 429.612 0.844 20 0 ICADRO C[NH+](C)C1(Cn2c(N3CCN(C(=O)Cn4cnnn4)CC3)nnc2C(C)(C)C)CCCC1 ZINC001617658718 1073324512 /nfs/dbraw/zinc/32/45/12/1073324512.db2.gz CTDJNXMUTRDDKR-UHFFFAOYSA-N 1 0 444.588 0.785 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001617658898 1073324603 /nfs/dbraw/zinc/32/46/03/1073324603.db2.gz KMMHEFRGZSWKKX-HZPDHXFCSA-N 1 0 427.571 0.864 20 0 ICADRO C[NH+](C)C1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001617658899 1073324433 /nfs/dbraw/zinc/32/44/33/1073324433.db2.gz KMMHEFRGZSWKKX-JKSUJKDBSA-N 1 0 427.571 0.864 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001617659391 1073324665 /nfs/dbraw/zinc/32/46/65/1073324665.db2.gz GBUBGOLCWQPHPR-PMACEKPBSA-N 1 0 435.598 0.540 20 0 ICADRO C[NH+](C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001617659392 1073324574 /nfs/dbraw/zinc/32/45/74/1073324574.db2.gz GBUBGOLCWQPHPR-UXHICEINSA-N 1 0 435.598 0.540 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001617659393 1073324455 /nfs/dbraw/zinc/32/44/55/1073324455.db2.gz GBUBGOLCWQPHPR-VQTJNVASSA-N 1 0 435.598 0.540 20 0 ICADRO C[NH+](C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001617659394 1073324416 /nfs/dbraw/zinc/32/44/16/1073324416.db2.gz GBUBGOLCWQPHPR-WOJBJXKFSA-N 1 0 435.598 0.540 20 0 ICADRO C[NH+](C)C1(Cn2c(Cc3ccncc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001617661135 1073324471 /nfs/dbraw/zinc/32/44/71/1073324471.db2.gz WSYPZLOQVXEXGL-UHFFFAOYSA-N 1 0 433.582 0.830 20 0 ICADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 ZINC001617668184 1073325046 /nfs/dbraw/zinc/32/50/46/1073325046.db2.gz OTDSLLQGFVZBGT-IBGZPJMESA-N 1 0 434.566 0.905 20 0 ICADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 ZINC001617668185 1073325132 /nfs/dbraw/zinc/32/51/32/1073325132.db2.gz OTDSLLQGFVZBGT-LJQANCHMSA-N 1 0 434.566 0.905 20 0 ICADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC001617668307 1073325060 /nfs/dbraw/zinc/32/50/60/1073325060.db2.gz TVZQIAJAWIRWNV-INIZCTEOSA-N 1 0 439.534 0.977 20 0 ICADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC001617668308 1073325102 /nfs/dbraw/zinc/32/51/02/1073325102.db2.gz TVZQIAJAWIRWNV-MRXNPFEDSA-N 1 0 439.534 0.977 20 0 ICADRO CN(C)c1cccnc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 ZINC001617672469 1073325470 /nfs/dbraw/zinc/32/54/70/1073325470.db2.gz OOCYHAQLDBRHNF-INIZCTEOSA-N 1 0 428.541 0.507 20 0 ICADRO CN(C)c1cccnc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 ZINC001617672470 1073325488 /nfs/dbraw/zinc/32/54/88/1073325488.db2.gz OOCYHAQLDBRHNF-MRXNPFEDSA-N 1 0 428.541 0.507 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C ZINC001617675507 1073325924 /nfs/dbraw/zinc/32/59/24/1073325924.db2.gz OBTCJHSOGVWOFE-UHFFFAOYSA-N 1 0 435.573 0.397 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001617677195 1073325914 /nfs/dbraw/zinc/32/59/14/1073325914.db2.gz DFOFJZLPLIOACK-HNNXBMFYSA-N 1 0 441.602 0.289 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001617677199 1073325798 /nfs/dbraw/zinc/32/57/98/1073325798.db2.gz DFOFJZLPLIOACK-OAHLLOKOSA-N 1 0 441.602 0.289 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001617677389 1073325767 /nfs/dbraw/zinc/32/57/67/1073325767.db2.gz AICAHDHVRKNBJI-KRWDZBQOSA-N 1 0 425.537 0.680 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001617677393 1073325812 /nfs/dbraw/zinc/32/58/12/1073325812.db2.gz AICAHDHVRKNBJI-QGZVFWFLSA-N 1 0 425.537 0.680 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001617677477 1073325964 /nfs/dbraw/zinc/32/59/64/1073325964.db2.gz FQAWVXPJTQMFKS-UHFFFAOYSA-N 1 0 447.584 0.251 20 0 ICADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nnc(C3CC3)n1CC(C)(C)C[NH+](C)C)C2 ZINC001617679205 1073325777 /nfs/dbraw/zinc/32/57/77/1073325777.db2.gz RQFQRSQVRRMCAV-UHFFFAOYSA-N 1 0 445.572 0.210 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001617680512 1073325849 /nfs/dbraw/zinc/32/58/49/1073325849.db2.gz XQMKYCBGEYPYSD-MSOLQXFVSA-N 1 0 433.601 0.976 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001617680514 1073325949 /nfs/dbraw/zinc/32/59/49/1073325949.db2.gz XQMKYCBGEYPYSD-QZTJIDSGSA-N 1 0 433.601 0.976 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001617680515 1073325830 /nfs/dbraw/zinc/32/58/30/1073325830.db2.gz XQMKYCBGEYPYSD-ROUUACIJSA-N 1 0 433.601 0.976 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001617680516 1073325749 /nfs/dbraw/zinc/32/57/49/1073325749.db2.gz XQMKYCBGEYPYSD-ZWKOTPCHSA-N 1 0 433.601 0.976 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001617680520 1073325841 /nfs/dbraw/zinc/32/58/41/1073325841.db2.gz XXVHSNBPINBBST-UHFFFAOYSA-N 1 0 436.586 0.795 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617682610 1073326321 /nfs/dbraw/zinc/32/63/21/1073326321.db2.gz DUZVQQHJWIJEAK-CABCVRRESA-N 1 0 426.587 0.470 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617682611 1073326206 /nfs/dbraw/zinc/32/62/06/1073326206.db2.gz DUZVQQHJWIJEAK-HUUCEWRRSA-N 1 0 426.587 0.470 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001617682858 1073326241 /nfs/dbraw/zinc/32/62/41/1073326241.db2.gz GSUFKTKFTXUVCW-DLBZAZTESA-N 1 0 440.614 0.289 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001617682859 1073326357 /nfs/dbraw/zinc/32/63/57/1073326357.db2.gz GSUFKTKFTXUVCW-IAGOWNOFSA-N 1 0 440.614 0.289 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001617682860 1073326260 /nfs/dbraw/zinc/32/62/60/1073326260.db2.gz GSUFKTKFTXUVCW-IRXDYDNUSA-N 1 0 440.614 0.289 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001617682861 1073326373 /nfs/dbraw/zinc/32/63/73/1073326373.db2.gz GSUFKTKFTXUVCW-SJORKVTESA-N 1 0 440.614 0.289 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001617683308 1073326342 /nfs/dbraw/zinc/32/63/42/1073326342.db2.gz MJXLDLATBOZEPG-HNNXBMFYSA-N 1 0 430.575 0.035 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001617683324 1073326381 /nfs/dbraw/zinc/32/63/81/1073326381.db2.gz MJXLDLATBOZEPG-OAHLLOKOSA-N 1 0 430.575 0.035 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001617683532 1073326336 /nfs/dbraw/zinc/32/63/36/1073326336.db2.gz OPYQZQGHXCBGNQ-INIZCTEOSA-N 1 0 428.603 0.842 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001617683533 1073326198 /nfs/dbraw/zinc/32/61/98/1073326198.db2.gz OPYQZQGHXCBGNQ-MRXNPFEDSA-N 1 0 428.603 0.842 20 0 ICADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCOC1 ZINC001617683626 1073326346 /nfs/dbraw/zinc/32/63/46/1073326346.db2.gz ROOKZYVQNNEHJA-CVEARBPZSA-N 1 0 444.602 0.424 20 0 ICADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCOC1 ZINC001617683627 1073326253 /nfs/dbraw/zinc/32/62/53/1073326253.db2.gz ROOKZYVQNNEHJA-HOTGVXAUSA-N 1 0 444.602 0.424 20 0 ICADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCOC1 ZINC001617683628 1073326313 /nfs/dbraw/zinc/32/63/13/1073326313.db2.gz ROOKZYVQNNEHJA-HZPDHXFCSA-N 1 0 444.602 0.424 20 0 ICADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCOC1 ZINC001617683629 1073326230 /nfs/dbraw/zinc/32/62/30/1073326230.db2.gz ROOKZYVQNNEHJA-JKSUJKDBSA-N 1 0 444.602 0.424 20 0 ICADRO C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001617684700 1073326301 /nfs/dbraw/zinc/32/63/01/1073326301.db2.gz DPDNBLTUJZEDGH-SJORKVTESA-N 1 0 431.585 0.951 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001617686537 1073326235 /nfs/dbraw/zinc/32/62/35/1073326235.db2.gz TZKBJMKSCDZGGE-KRWDZBQOSA-N 1 0 434.566 0.820 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001617686592 1073326281 /nfs/dbraw/zinc/32/62/81/1073326281.db2.gz TZKBJMKSCDZGGE-QGZVFWFLSA-N 1 0 434.566 0.820 20 0 ICADRO Cn1nc2c(cc1=O)CN(c1nnc(CN3CCCC3=O)n1CC(C)(C)C[NH+](C)C)CC2 ZINC001617686733 1073326220 /nfs/dbraw/zinc/32/62/20/1073326220.db2.gz ZAJZZQPOLXFQEL-UHFFFAOYSA-N 1 0 442.568 0.645 20 0 ICADRO C[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)(=O)CC2)c1 ZINC001617687036 1073326290 /nfs/dbraw/zinc/32/62/90/1073326290.db2.gz YKYXVDXYZIEYLP-UHFFFAOYSA-N 1 0 446.577 0.859 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001617690390 1073326664 /nfs/dbraw/zinc/32/66/64/1073326664.db2.gz FKQXDAJTBVWNGB-IBGZPJMESA-N 1 0 443.600 0.873 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001617690391 1073326752 /nfs/dbraw/zinc/32/67/52/1073326752.db2.gz FKQXDAJTBVWNGB-LJQANCHMSA-N 1 0 443.600 0.873 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001617690621 1073326791 /nfs/dbraw/zinc/32/67/91/1073326791.db2.gz KDOLVZNHOSMDSB-GOSISDBHSA-N 1 0 426.569 0.925 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001617690622 1073327193 /nfs/dbraw/zinc/32/71/93/1073327193.db2.gz KDOLVZNHOSMDSB-SFHVURJKSA-N 1 0 426.569 0.925 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001617691254 1073327106 /nfs/dbraw/zinc/32/71/06/1073327106.db2.gz UABHUHRRQKJTMA-UHFFFAOYSA-N 1 0 426.569 0.892 20 0 ICADRO C[NH+](C)CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)cc1 ZINC001617692081 1073327132 /nfs/dbraw/zinc/32/71/32/1073327132.db2.gz FRENYNZXQPXYNI-GOSISDBHSA-N 1 0 441.536 0.544 20 0 ICADRO C[NH+](C)CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)cc1 ZINC001617692082 1073327191 /nfs/dbraw/zinc/32/71/91/1073327191.db2.gz FRENYNZXQPXYNI-SFHVURJKSA-N 1 0 441.536 0.544 20 0 ICADRO Cn1cc(-c2nnc(N3CCN(C)C(=O)C3)n2Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC001617692743 1073327024 /nfs/dbraw/zinc/32/70/24/1073327024.db2.gz PSMWDQRXOKGXTL-UHFFFAOYSA-N 1 0 438.536 0.946 20 0 ICADRO Cn1cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC001617692835 1073327078 /nfs/dbraw/zinc/32/70/78/1073327078.db2.gz PWMPCILGGXILPB-KRWDZBQOSA-N 1 0 438.536 0.979 20 0 ICADRO Cn1cc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2cccc(OCC[NH+](C)C)c2)cn1 ZINC001617692836 1073327039 /nfs/dbraw/zinc/32/70/39/1073327039.db2.gz PWMPCILGGXILPB-QGZVFWFLSA-N 1 0 438.536 0.979 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001617693086 1073327147 /nfs/dbraw/zinc/32/71/47/1073327147.db2.gz CXGKDWJQYCAJSF-OALUTQOASA-N 1 0 433.601 0.757 20 0 ICADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001617693087 1073326981 /nfs/dbraw/zinc/32/69/81/1073326981.db2.gz CXGKDWJQYCAJSF-RBUKOAKNSA-N 1 0 433.601 0.757 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 ZINC001617696419 1073327141 /nfs/dbraw/zinc/32/71/41/1073327141.db2.gz DGNGOHSIAONDQC-UHFFFAOYSA-N 1 0 428.946 0.807 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 ZINC001617696489 1073327265 /nfs/dbraw/zinc/32/72/65/1073327265.db2.gz AVBIDVMEYCBLRU-UHFFFAOYSA-N 1 0 436.557 0.478 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001617696495 1073327047 /nfs/dbraw/zinc/32/70/47/1073327047.db2.gz AVVFIDZJDSMWCT-INIZCTEOSA-N 1 0 442.586 0.106 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001617696496 1073327089 /nfs/dbraw/zinc/32/70/89/1073327089.db2.gz AVVFIDZJDSMWCT-MRXNPFEDSA-N 1 0 442.586 0.106 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)CC1 ZINC001617696921 1073327703 /nfs/dbraw/zinc/32/77/03/1073327703.db2.gz IZLGZWZWGGKSFE-UHFFFAOYSA-N 1 0 430.557 0.129 20 0 ICADRO CN(c1nnc(-c2ccc[nH]2)n1CCOCC[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC001617697545 1073327623 /nfs/dbraw/zinc/32/76/23/1073327623.db2.gz QLODQCLNLJEJKA-UHFFFAOYSA-N 1 0 439.586 0.712 20 0 ICADRO CN1C(=O)N[C@@H](C2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001617697634 1073327756 /nfs/dbraw/zinc/32/77/56/1073327756.db2.gz SCGSETMLZVJJRR-KRWDZBQOSA-N 1 0 444.540 0.618 20 0 ICADRO CN1C(=O)N[C@H](C2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001617697645 1073327639 /nfs/dbraw/zinc/32/76/39/1073327639.db2.gz SCGSETMLZVJJRR-QGZVFWFLSA-N 1 0 444.540 0.618 20 0 ICADRO Cn1cc(-c2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001617697982 1073327673 /nfs/dbraw/zinc/32/76/73/1073327673.db2.gz VTTCDGCWCKJVMK-UHFFFAOYSA-N 1 0 445.572 0.641 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001617698017 1073327601 /nfs/dbraw/zinc/32/76/01/1073327601.db2.gz NJOYHEJRHSHHHN-IBGZPJMESA-N 1 0 449.600 0.393 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001617698027 1073327778 /nfs/dbraw/zinc/32/77/78/1073327778.db2.gz WLUSJHYNGRMTBC-NRFANRHFSA-N 1 0 430.509 0.954 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001617698028 1073327634 /nfs/dbraw/zinc/32/76/34/1073327634.db2.gz WLUSJHYNGRMTBC-OAQYLSRUSA-N 1 0 430.509 0.954 20 0 ICADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001617698038 1073327647 /nfs/dbraw/zinc/32/76/47/1073327647.db2.gz NJOYHEJRHSHHHN-LJQANCHMSA-N 1 0 449.600 0.393 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 ZINC001617699278 1073327741 /nfs/dbraw/zinc/32/77/41/1073327741.db2.gz ZKLAUSGBRAHYAK-UHFFFAOYSA-N 1 0 426.319 0.550 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001617699365 1073327714 /nfs/dbraw/zinc/32/77/14/1073327714.db2.gz CGRYWXFQUGRRCF-KRWDZBQOSA-N 1 0 446.531 0.668 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001617699366 1073327763 /nfs/dbraw/zinc/32/77/63/1073327763.db2.gz CGRYWXFQUGRRCF-QGZVFWFLSA-N 1 0 446.531 0.668 20 0 ICADRO Cn1cc(-c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001617699387 1073327616 /nfs/dbraw/zinc/32/76/16/1073327616.db2.gz CZAWVCYUGBLUPC-UHFFFAOYSA-N 1 0 445.572 0.595 20 0 ICADRO C[NH+](C)CCOCCn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001617699390 1073327690 /nfs/dbraw/zinc/32/76/90/1073327690.db2.gz DBFJESHECGEKSG-INIZCTEOSA-N 1 0 431.545 0.656 20 0 ICADRO C[NH+](C)CCOCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001617699391 1073327735 /nfs/dbraw/zinc/32/77/35/1073327735.db2.gz DBFJESHECGEKSG-MRXNPFEDSA-N 1 0 431.545 0.656 20 0 ICADRO Cn1cc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCOCC[NH+](C)C)cn1 ZINC001617699454 1073327681 /nfs/dbraw/zinc/32/76/81/1073327681.db2.gz FJFSMDBRVPWOGO-IBGZPJMESA-N 1 0 437.570 0.272 20 0 ICADRO Cn1cc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCOCC[NH+](C)C)cn1 ZINC001617699455 1073327772 /nfs/dbraw/zinc/32/77/72/1073327772.db2.gz FJFSMDBRVPWOGO-LJQANCHMSA-N 1 0 437.570 0.272 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001617699489 1073327749 /nfs/dbraw/zinc/32/77/49/1073327749.db2.gz GFPHXHBBJBCCFD-APWZRJJASA-N 1 0 427.571 0.375 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001617699490 1073327724 /nfs/dbraw/zinc/32/77/24/1073327724.db2.gz GFPHXHBBJBCCFD-LPHOPBHVSA-N 1 0 427.571 0.375 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001617699491 1073328236 /nfs/dbraw/zinc/32/82/36/1073328236.db2.gz GFPHXHBBJBCCFD-QFBILLFUSA-N 1 0 427.571 0.375 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001617699492 1073328162 /nfs/dbraw/zinc/32/81/62/1073328162.db2.gz GFPHXHBBJBCCFD-VQIMIIECSA-N 1 0 427.571 0.375 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCNC(=O)CC1 ZINC001617699761 1073328098 /nfs/dbraw/zinc/32/80/98/1073328098.db2.gz MWFOHJPJKPYLIX-UHFFFAOYSA-N 1 0 440.508 0.498 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001617699799 1073328000 /nfs/dbraw/zinc/32/80/00/1073328000.db2.gz NQFJJXVMZUJLKE-INIZCTEOSA-N 1 0 429.587 0.764 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001617699800 1073328114 /nfs/dbraw/zinc/32/81/14/1073328114.db2.gz NQFJJXVMZUJLKE-MRXNPFEDSA-N 1 0 429.587 0.764 20 0 ICADRO Cn1cc([C@@]2(C)CN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001617699834 1073327974 /nfs/dbraw/zinc/32/79/74/1073327974.db2.gz OILPVPJAZSQEQL-DYESRHJHSA-N 1 0 433.557 0.846 20 0 ICADRO Cn1cc([C@@]2(C)CN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001617699835 1073328149 /nfs/dbraw/zinc/32/81/49/1073328149.db2.gz OILPVPJAZSQEQL-LAUBAEHRSA-N 1 0 433.557 0.846 20 0 ICADRO Cn1cc([C@]2(C)CN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001617699836 1073328218 /nfs/dbraw/zinc/32/82/18/1073328218.db2.gz OILPVPJAZSQEQL-UTKZUKDTSA-N 1 0 433.557 0.846 20 0 ICADRO Cn1cc([C@]2(C)CN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001617699837 1073328019 /nfs/dbraw/zinc/32/80/19/1073328019.db2.gz OILPVPJAZSQEQL-UWJYYQICSA-N 1 0 433.557 0.846 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001617699855 1073328171 /nfs/dbraw/zinc/32/81/71/1073328171.db2.gz OVASJIQQNIHLPB-DLBZAZTESA-N 1 0 449.600 0.939 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001617699856 1073328063 /nfs/dbraw/zinc/32/80/63/1073328063.db2.gz OVASJIQQNIHLPB-IAGOWNOFSA-N 1 0 449.600 0.939 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001617699857 1073327990 /nfs/dbraw/zinc/32/79/90/1073327990.db2.gz OVASJIQQNIHLPB-IRXDYDNUSA-N 1 0 449.600 0.939 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001617699858 1073328225 /nfs/dbraw/zinc/32/82/25/1073328225.db2.gz OVASJIQQNIHLPB-SJORKVTESA-N 1 0 449.600 0.939 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617699932 1073328134 /nfs/dbraw/zinc/32/81/34/1073328134.db2.gz QYQQCOCYUWSCHE-CQSZACIVSA-N 1 0 433.513 0.286 20 0 ICADRO C[NH+](C)CCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001617700030 1073328087 /nfs/dbraw/zinc/32/80/87/1073328087.db2.gz TUQXUCYHVCHYBL-UHFFFAOYSA-N 1 0 435.573 0.698 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001617700081 1073328184 /nfs/dbraw/zinc/32/81/84/1073328184.db2.gz UXWGQTBSWXKUIO-IBGZPJMESA-N 1 0 435.554 0.328 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001617700082 1073328075 /nfs/dbraw/zinc/32/80/75/1073328075.db2.gz UXWGQTBSWXKUIO-LJQANCHMSA-N 1 0 435.554 0.328 20 0 ICADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001617700191 1073328124 /nfs/dbraw/zinc/32/81/24/1073328124.db2.gz XOZZDQNMSUCUFV-KTGAGVNESA-N 1 0 441.598 0.356 20 0 ICADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001617700192 1073328363 /nfs/dbraw/zinc/32/83/63/1073328363.db2.gz XOZZDQNMSUCUFV-SOABOVLPSA-N 1 0 441.598 0.356 20 0 ICADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001617700271 1073328465 /nfs/dbraw/zinc/32/84/65/1073328465.db2.gz ZGDYNUCYHUEVAF-UHFFFAOYSA-N 1 0 443.556 0.697 20 0 ICADRO Cn1cc(N2CCN(c3nnc(Cc4cccnc4)n3CCOCC[NH+](C)C)CC2)cn1 ZINC001617701968 1073328519 /nfs/dbraw/zinc/32/85/19/1073328519.db2.gz APYYONCHMDBGHT-UHFFFAOYSA-N 1 0 439.568 0.902 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001617702030 1073328475 /nfs/dbraw/zinc/32/84/75/1073328475.db2.gz BYAYZVBDOUYVAV-UHFFFAOYSA-N 1 0 436.582 0.856 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001617702115 1073328405 /nfs/dbraw/zinc/32/84/05/1073328405.db2.gz DHHNRFZXTVRUJK-UHFFFAOYSA-N 1 0 437.552 0.959 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001617702123 1073328442 /nfs/dbraw/zinc/32/84/42/1073328442.db2.gz DLEQJYSEQOGNGR-NRFANRHFSA-N 1 0 448.593 0.857 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001617702172 1073328500 /nfs/dbraw/zinc/32/85/00/1073328500.db2.gz DLEQJYSEQOGNGR-OAQYLSRUSA-N 1 0 448.593 0.857 20 0 ICADRO C[NH+](C)CCOCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001617702212 1073328414 /nfs/dbraw/zinc/32/84/14/1073328414.db2.gz FHTRDJYROCASFY-UHFFFAOYSA-N 1 0 435.573 0.081 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001617702287 1073328547 /nfs/dbraw/zinc/32/85/47/1073328547.db2.gz GJQJVYRHNDYVGG-UHFFFAOYSA-N 1 0 442.568 0.836 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001617702291 1073328354 /nfs/dbraw/zinc/32/83/54/1073328354.db2.gz GNOUBULUFMCSCG-GOSISDBHSA-N 1 0 431.516 0.800 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001617702292 1073328454 /nfs/dbraw/zinc/32/84/54/1073328454.db2.gz GNOUBULUFMCSCG-SFHVURJKSA-N 1 0 431.516 0.800 20 0 ICADRO CN1C(=O)C[C@H]2CN(c3nnc(CN4CCCC4=O)n3CCOCC[NH+](C)C)CC[C@H]21 ZINC001617702397 1073328859 /nfs/dbraw/zinc/32/88/59/1073328859.db2.gz IRHFPCMDWKUASI-DLBZAZTESA-N 1 0 433.557 0.036 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001617702401 1073328802 /nfs/dbraw/zinc/32/88/02/1073328802.db2.gz IURYKXJNCPYAPV-JOCHJYFZSA-N 1 0 449.600 0.280 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001617702402 1073328904 /nfs/dbraw/zinc/32/89/04/1073328904.db2.gz IURYKXJNCPYAPV-QFIPXVFZSA-N 1 0 449.600 0.280 20 0 ICADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001617702744 1073328869 /nfs/dbraw/zinc/32/88/69/1073328869.db2.gz NNAAMOKPAPTJIG-UHFFFAOYSA-N 1 0 429.525 0.642 20 0 ICADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001617702969 1073328797 /nfs/dbraw/zinc/32/87/97/1073328797.db2.gz OPEPRKSLAHNSDN-UHFFFAOYSA-N 1 0 427.553 0.949 20 0 ICADRO C[NH+](C)CCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001617702977 1073328827 /nfs/dbraw/zinc/32/88/27/1073328827.db2.gz OXLOQBWFJSCCAK-KRWDZBQOSA-N 1 0 447.515 0.788 20 0 ICADRO C[NH+](C)CCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001617702978 1073329032 /nfs/dbraw/zinc/32/90/32/1073329032.db2.gz OXLOQBWFJSCCAK-QGZVFWFLSA-N 1 0 447.515 0.788 20 0 ICADRO CN1CCC2(CCN(c3nnc(CN4CCCC4=O)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001617703603 1073328999 /nfs/dbraw/zinc/32/89/99/1073328999.db2.gz ZYEZZYNMFBFNEO-UHFFFAOYSA-N 1 0 447.584 0.427 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001617706570 1073329232 /nfs/dbraw/zinc/32/92/32/1073329232.db2.gz YZAZUOUHWOTCCZ-INIZCTEOSA-N 1 0 439.586 0.080 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001617706571 1073329427 /nfs/dbraw/zinc/32/94/27/1073329427.db2.gz YZAZUOUHWOTCCZ-MRXNPFEDSA-N 1 0 439.586 0.080 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617708285 1073329472 /nfs/dbraw/zinc/32/94/72/1073329472.db2.gz CDPAEDXTGHBSFJ-KRWDZBQOSA-N 1 0 449.581 0.390 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617708286 1073329389 /nfs/dbraw/zinc/32/93/89/1073329389.db2.gz CDPAEDXTGHBSFJ-QGZVFWFLSA-N 1 0 449.581 0.390 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001617708960 1073329775 /nfs/dbraw/zinc/32/97/75/1073329775.db2.gz JMYUBQYZOMWVDY-UHFFFAOYSA-N 1 0 426.587 0.596 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001617709329 1073329608 /nfs/dbraw/zinc/32/96/08/1073329608.db2.gz LYACFWIDUBJITC-UHFFFAOYSA-N 1 0 449.581 0.533 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617710320 1073330585 /nfs/dbraw/zinc/33/05/85/1073330585.db2.gz ZJXMCXUQWQAFAB-GOSISDBHSA-N 1 0 448.593 0.995 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617710321 1073330520 /nfs/dbraw/zinc/33/05/20/1073330520.db2.gz ZJXMCXUQWQAFAB-SFHVURJKSA-N 1 0 448.593 0.995 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001617711624 1073330497 /nfs/dbraw/zinc/33/04/97/1073330497.db2.gz BNWKSTLCUVZPME-GOSISDBHSA-N 1 0 433.582 0.830 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001617711625 1073330604 /nfs/dbraw/zinc/33/06/04/1073330604.db2.gz BNWKSTLCUVZPME-SFHVURJKSA-N 1 0 433.582 0.830 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001617711981 1073330913 /nfs/dbraw/zinc/33/09/13/1073330913.db2.gz HZWXELVFNMNQKN-UHFFFAOYSA-N 1 0 433.582 0.687 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617712231 1073330976 /nfs/dbraw/zinc/33/09/76/1073330976.db2.gz LJUCXCBZYZEESE-QGZVFWFLSA-N 1 0 440.614 0.986 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617713496 1073331138 /nfs/dbraw/zinc/33/11/38/1073331138.db2.gz STRUEHYTEKNABD-KRWDZBQOSA-N 1 0 442.630 0.917 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617713497 1073331277 /nfs/dbraw/zinc/33/12/77/1073331277.db2.gz STRUEHYTEKNABD-QGZVFWFLSA-N 1 0 442.630 0.917 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001617713788 1073331190 /nfs/dbraw/zinc/33/11/90/1073331190.db2.gz URMJAPJJDPZDBR-IBGZPJMESA-N 1 0 448.593 0.903 20 0 ICADRO CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001617713789 1073331338 /nfs/dbraw/zinc/33/13/38/1073331338.db2.gz URMJAPJJDPZDBR-LJQANCHMSA-N 1 0 448.593 0.903 20 0 ICADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O ZINC001617725680 1073332330 /nfs/dbraw/zinc/33/23/30/1073332330.db2.gz WIJZCTURVJJQRE-UHFFFAOYSA-N 1 0 445.607 0.214 20 0 ICADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CCOCC1 ZINC001617731486 1073332764 /nfs/dbraw/zinc/33/27/64/1073332764.db2.gz FHIAWGPLAMRMTR-INIZCTEOSA-N 1 0 426.558 0.977 20 0 ICADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CCOCC1 ZINC001617731490 1073332742 /nfs/dbraw/zinc/33/27/42/1073332742.db2.gz FHIAWGPLAMRMTR-MRXNPFEDSA-N 1 0 426.558 0.977 20 0 ICADRO CN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001617739319 1073333273 /nfs/dbraw/zinc/33/32/73/1073333273.db2.gz 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0.801 20 0 ICADRO CN(c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617743313 1073333506 /nfs/dbraw/zinc/33/35/06/1073333506.db2.gz YBZXWYQTXYWEIE-INIZCTEOSA-N 1 0 437.570 0.413 20 0 ICADRO CN(c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617743321 1073333518 /nfs/dbraw/zinc/33/35/18/1073333518.db2.gz YBZXWYQTXYWEIE-MRXNPFEDSA-N 1 0 437.570 0.413 20 0 ICADRO C[N@@H+]1CCN(CCNC(=O)Cn2nc(Br)c(Br)n2)CC1(C)C ZINC001617744384 1073333934 /nfs/dbraw/zinc/33/39/34/1073333934.db2.gz LXROERYIMDHMEO-UHFFFAOYSA-N 1 0 438.168 0.945 20 0 ICADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617745968 1073333790 /nfs/dbraw/zinc/33/37/90/1073333790.db2.gz PEUUPLYFGZZORJ-CVEARBPZSA-N 1 0 438.598 0.975 20 0 ICADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617745971 1073333750 /nfs/dbraw/zinc/33/37/50/1073333750.db2.gz PEUUPLYFGZZORJ-HOTGVXAUSA-N 1 0 438.598 0.975 20 0 ICADRO 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COC1CC[NH+](C(C)(C)CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001617773752 1073338365 /nfs/dbraw/zinc/33/83/65/1073338365.db2.gz ZWTFOWMRADVIEE-XJKSGUPXSA-N 1 0 433.596 0.781 20 0 ICADRO CN(C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001617788560 1073339466 /nfs/dbraw/zinc/33/94/66/1073339466.db2.gz CQWHWBIGXVUBGB-INIZCTEOSA-N 1 0 439.586 0.185 20 0 ICADRO CN(C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001617788562 1073339236 /nfs/dbraw/zinc/33/92/36/1073339236.db2.gz CQWHWBIGXVUBGB-MRXNPFEDSA-N 1 0 439.586 0.185 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CC1([NH+](C)C)CCC1 ZINC001617791636 1073340048 /nfs/dbraw/zinc/34/00/48/1073340048.db2.gz DGRSOLHHDWPARN-UHFFFAOYSA-N 1 0 433.557 0.293 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCCCCC1 ZINC001617794965 1073340875 /nfs/dbraw/zinc/34/08/75/1073340875.db2.gz WNMSVIIAEVJHJK-UHFFFAOYSA-N 1 0 430.557 0.850 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001617795058 1073340921 /nfs/dbraw/zinc/34/09/21/1073340921.db2.gz AWABAAIKGWVNDJ-KRWDZBQOSA-N 1 0 447.584 0.789 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001617795059 1073340891 /nfs/dbraw/zinc/34/08/91/1073340891.db2.gz AWABAAIKGWVNDJ-QGZVFWFLSA-N 1 0 447.584 0.789 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCCCC1 ZINC001617795110 1073340916 /nfs/dbraw/zinc/34/09/16/1073340916.db2.gz YLJBFRBYUFRUCE-UHFFFAOYSA-N 1 0 430.557 0.850 20 0 ICADRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)O ZINC001617798391 1073341819 /nfs/dbraw/zinc/34/18/19/1073341819.db2.gz BYCFZZULWROGMI-IBGZPJMESA-N 1 0 427.567 0.709 20 0 ICADRO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001617798950 1073341990 /nfs/dbraw/zinc/34/19/90/1073341990.db2.gz LGIJUUDHDMQRIY-UHFFFAOYSA-N 1 0 449.600 0.712 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001617799899 1073342220 /nfs/dbraw/zinc/34/22/20/1073342220.db2.gz VDRDOILRKBHSGS-QGZVFWFLSA-N 1 0 436.557 0.535 20 0 ICADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001617802004 1073342134 /nfs/dbraw/zinc/34/21/34/1073342134.db2.gz AOQVPSLLKWDFAP-INIZCTEOSA-N 1 0 430.557 0.933 20 0 ICADRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001617802009 1073342075 /nfs/dbraw/zinc/34/20/75/1073342075.db2.gz AOQVPSLLKWDFAP-MRXNPFEDSA-N 1 0 430.557 0.933 20 0 ICADRO CC(C)[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C(N)=O ZINC001617813087 1073343299 /nfs/dbraw/zinc/34/32/99/1073343299.db2.gz BEGZXPPSSLHOLF-GOSISDBHSA-N 1 0 448.948 0.802 20 0 ICADRO CC(C)[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C(N)=O ZINC001617813088 1073343490 /nfs/dbraw/zinc/34/34/90/1073343490.db2.gz BEGZXPPSSLHOLF-SFHVURJKSA-N 1 0 448.948 0.802 20 0 ICADRO CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC001617813157 1073343462 /nfs/dbraw/zinc/34/34/62/1073343462.db2.gz CKDXVJVUOZCZHG-UHFFFAOYSA-N 1 0 431.562 0.897 20 0 ICADRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(N)=O ZINC001617814642 1073343498 /nfs/dbraw/zinc/34/34/98/1073343498.db2.gz YENNJNGNBZBOPB-MDOVXXIYSA-N 1 0 440.566 0.913 20 0 ICADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(N)=O ZINC001617814644 1073343380 /nfs/dbraw/zinc/34/33/80/1073343380.db2.gz YENNJNGNBZBOPB-QEEYODRMSA-N 1 0 440.566 0.913 20 0 ICADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(N)=O ZINC001617814647 1073343275 /nfs/dbraw/zinc/34/32/75/1073343275.db2.gz YENNJNGNBZBOPB-STXHMFSFSA-N 1 0 440.566 0.913 20 0 ICADRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(N)=O ZINC001617814649 1073343404 /nfs/dbraw/zinc/34/34/04/1073343404.db2.gz YENNJNGNBZBOPB-SXGZJXTBSA-N 1 0 440.566 0.913 20 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ZINC001617831185 1073343691 /nfs/dbraw/zinc/34/36/91/1073343691.db2.gz YBMCSDCNWUMCRB-KRWDZBQOSA-N 1 0 430.557 0.806 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001617848882 1073344748 /nfs/dbraw/zinc/34/47/48/1073344748.db2.gz KDMJSLJPBDSNPY-KZNAEPCWSA-N 1 0 429.439 0.486 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC001617849310 1073344686 /nfs/dbraw/zinc/34/46/86/1073344686.db2.gz PQPXXXFBTACFNC-UHFFFAOYSA-N 1 0 434.484 0.965 20 0 ICADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001617849394 1073344654 /nfs/dbraw/zinc/34/46/54/1073344654.db2.gz RDWHJTAVCWDNHJ-UHFFFAOYSA-N 1 0 446.455 0.758 20 0 ICADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001617858970 1073345124 /nfs/dbraw/zinc/34/51/24/1073345124.db2.gz MXTGYHVPVNNTKN-FQEVSTJZSA-N 1 0 446.548 0.496 20 0 ICADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001617858971 1073345042 /nfs/dbraw/zinc/34/50/42/1073345042.db2.gz MXTGYHVPVNNTKN-HXUWFJFHSA-N 1 0 446.548 0.496 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2csc(I)n2)cn1 ZINC001617862073 1073345517 /nfs/dbraw/zinc/34/55/17/1073345517.db2.gz AVANDEPYSOXHTR-UHFFFAOYSA-N 1 0 448.290 0.874 20 0 ICADRO Cc1[nH]nc(I)c1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001617864753 1073345433 /nfs/dbraw/zinc/34/54/33/1073345433.db2.gz SNQDRXULLWNWET-UHFFFAOYSA-N 1 0 445.265 0.449 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2ccc(Br)cc2=O)cn1 ZINC001617865119 1073345473 /nfs/dbraw/zinc/34/54/73/1073345473.db2.gz VMCFBVAZQXTGPU-UHFFFAOYSA-N 1 0 425.287 0.124 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)cn1 ZINC001617865263 1073345423 /nfs/dbraw/zinc/34/54/23/1073345423.db2.gz WJVMSXYQNXPPJA-UHFFFAOYSA-N 1 0 438.529 0.165 20 0 ICADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)cn1 ZINC001617865607 1073345633 /nfs/dbraw/zinc/34/56/33/1073345633.db2.gz YMRPKIKLPOGPCK-UHFFFAOYSA-N 1 0 425.493 0.801 20 0 ICADRO C[C@@](CO)([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC001617868654 1073346515 /nfs/dbraw/zinc/34/65/15/1073346515.db2.gz UANFYRVTWZBFEV-KRWDZBQOSA-N 1 0 448.383 0.786 20 0 ICADRO C[C@](CO)([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC001617868656 1073346619 /nfs/dbraw/zinc/34/66/19/1073346619.db2.gz UANFYRVTWZBFEV-QGZVFWFLSA-N 1 0 448.383 0.786 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617886636 1073347096 /nfs/dbraw/zinc/34/70/96/1073347096.db2.gz SPSXQJSKDGRYTM-LMNJBCLMSA-N 1 0 433.524 0.901 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617886637 1073346878 /nfs/dbraw/zinc/34/68/78/1073346878.db2.gz SPSXQJSKDGRYTM-QFUCXCTJSA-N 1 0 433.524 0.901 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617886639 1073347034 /nfs/dbraw/zinc/34/70/34/1073347034.db2.gz SPSXQJSKDGRYTM-SLYNCCJLSA-N 1 0 433.524 0.901 20 0 ICADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617886641 1073347111 /nfs/dbraw/zinc/34/71/11/1073347111.db2.gz SPSXQJSKDGRYTM-YFVAEKQCSA-N 1 0 433.524 0.901 20 0 ICADRO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918221 1073348491 /nfs/dbraw/zinc/34/84/91/1073348491.db2.gz LRGKUAOXZQYEGS-CABCVRRESA-N 1 0 426.443 0.468 20 0 ICADRO O=C(C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918224 1073348547 /nfs/dbraw/zinc/34/85/47/1073348547.db2.gz LRGKUAOXZQYEGS-GJZGRUSLSA-N 1 0 426.443 0.468 20 0 ICADRO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918227 1073348671 /nfs/dbraw/zinc/34/86/71/1073348671.db2.gz LRGKUAOXZQYEGS-HUUCEWRRSA-N 1 0 426.443 0.468 20 0 ICADRO O=C(C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918229 1073348603 /nfs/dbraw/zinc/34/86/03/1073348603.db2.gz LRGKUAOXZQYEGS-LSDHHAIUSA-N 1 0 426.443 0.468 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC001617928958 1073349244 /nfs/dbraw/zinc/34/92/44/1073349244.db2.gz JMYWIYVZWAWJCW-GDBMZVCRSA-N 1 0 448.511 0.641 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001617928969 1073349305 /nfs/dbraw/zinc/34/93/05/1073349305.db2.gz JRKNFIAAAKFVRY-GSHUGGBRSA-N 1 0 438.569 0.929 20 0 ICADRO CCO[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001617932717 1073349374 /nfs/dbraw/zinc/34/93/74/1073349374.db2.gz HOOXZJISFYTRAX-RTBURBONSA-N 1 0 441.550 0.664 20 0 ICADRO CN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001617972014 1073351536 /nfs/dbraw/zinc/35/15/36/1073351536.db2.gz AGANGYBJDGDJJA-GOSISDBHSA-N 1 0 430.557 0.617 20 0 ICADRO CN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001617972015 1073351463 /nfs/dbraw/zinc/35/14/63/1073351463.db2.gz AGANGYBJDGDJJA-SFHVURJKSA-N 1 0 430.557 0.617 20 0 ICADRO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)[N@H+]1CCO ZINC001617974109 1073352058 /nfs/dbraw/zinc/35/20/58/1073352058.db2.gz FIQSXYKACBXDAK-CALCHBBNSA-N 1 0 440.566 0.033 20 0 ICADRO CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617974436 1073351852 /nfs/dbraw/zinc/35/18/52/1073351852.db2.gz AHUQFXHUQCPHQO-RDJZCZTQSA-N 1 0 447.598 0.932 20 0 ICADRO CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617974437 1073351952 /nfs/dbraw/zinc/35/19/52/1073351952.db2.gz AHUQFXHUQCPHQO-WBVHZDCISA-N 1 0 447.598 0.932 20 0 ICADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001617975366 1073352418 /nfs/dbraw/zinc/35/24/18/1073352418.db2.gz ZZKUYZKJOGSPHV-IBGZPJMESA-N 1 0 445.969 0.504 20 0 ICADRO COC[C@]1(CO)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001617975367 1073352286 /nfs/dbraw/zinc/35/22/86/1073352286.db2.gz ZZKUYZKJOGSPHV-LJQANCHMSA-N 1 0 445.969 0.504 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001617975689 1073352345 /nfs/dbraw/zinc/35/23/45/1073352345.db2.gz MYYLRJWJCPHBMX-CVEARBPZSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001617975690 1073352319 /nfs/dbraw/zinc/35/23/19/1073352319.db2.gz MYYLRJWJCPHBMX-HOTGVXAUSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001617975691 1073352245 /nfs/dbraw/zinc/35/22/45/1073352245.db2.gz MYYLRJWJCPHBMX-HZPDHXFCSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001617975692 1073352311 /nfs/dbraw/zinc/35/23/11/1073352311.db2.gz MYYLRJWJCPHBMX-JKSUJKDBSA-N 1 0 425.551 0.576 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617975926 1073352255 /nfs/dbraw/zinc/35/22/55/1073352255.db2.gz QTEDFGHNQYJVNE-GRDNDAEWSA-N 1 0 431.580 0.393 20 0 ICADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617975927 1073352326 /nfs/dbraw/zinc/35/23/26/1073352326.db2.gz QTEDFGHNQYJVNE-JJRVBVJISA-N 1 0 431.580 0.393 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617975928 1073352265 /nfs/dbraw/zinc/35/22/65/1073352265.db2.gz QTEDFGHNQYJVNE-VBQJREDUSA-N 1 0 431.580 0.393 20 0 ICADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617975929 1073352456 /nfs/dbraw/zinc/35/24/56/1073352456.db2.gz QTEDFGHNQYJVNE-ZQIUZPCESA-N 1 0 431.580 0.393 20 0 ICADRO CCN1C(=O)CO[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H]1c1ccnn1C ZINC001617981835 1073352238 /nfs/dbraw/zinc/35/22/38/1073352238.db2.gz FNIXXCYPCIFLOI-UXHICEINSA-N 1 0 442.520 0.639 20 0 ICADRO O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001617983183 1073352687 /nfs/dbraw/zinc/35/26/87/1073352687.db2.gz PBCBUMJTPFBNLB-UHFFFAOYSA-N 1 0 443.610 0.967 20 0 ICADRO CN(Cc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001617983880 1073352660 /nfs/dbraw/zinc/35/26/60/1073352660.db2.gz BCUIZVRIJLSAEF-MSOLQXFVSA-N 1 0 428.541 0.893 20 0 ICADRO CN(Cc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001617983881 1073352778 /nfs/dbraw/zinc/35/27/78/1073352778.db2.gz BCUIZVRIJLSAEF-QZTJIDSGSA-N 1 0 428.541 0.893 20 0 ICADRO CN(Cc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001617983882 1073352717 /nfs/dbraw/zinc/35/27/17/1073352717.db2.gz BCUIZVRIJLSAEF-ROUUACIJSA-N 1 0 428.541 0.893 20 0 ICADRO CN(Cc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001617983883 1073352591 /nfs/dbraw/zinc/35/25/91/1073352591.db2.gz BCUIZVRIJLSAEF-ZWKOTPCHSA-N 1 0 428.541 0.893 20 0 ICADRO CCOC(=O)C1([S@](C)=O)CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC001617986849 1073353015 /nfs/dbraw/zinc/35/30/15/1073353015.db2.gz DVDPFJUKVDAJFG-PMERELPUSA-N 1 0 436.578 0.897 20 0 ICADRO CCOC(=O)C1([S@@](C)=O)CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC001617986850 1073353047 /nfs/dbraw/zinc/35/30/47/1073353047.db2.gz DVDPFJUKVDAJFG-SSEXGKCCSA-N 1 0 436.578 0.897 20 0 ICADRO CC(C)C[NH2+]C1(CO)CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC001617986868 1073353064 /nfs/dbraw/zinc/35/30/64/1073353064.db2.gz FGVFOXDZKPPWLF-UHFFFAOYSA-N 1 0 432.974 0.998 20 0 ICADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3CCOC3(C)C)CC2)cc1OC ZINC001617993782 1073353471 /nfs/dbraw/zinc/35/34/71/1073353471.db2.gz MYZJRMWASZAZCI-GOSISDBHSA-N 1 0 441.550 0.694 20 0 ICADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3CCOC3(C)C)CC2)cc1OC ZINC001617993783 1073353308 /nfs/dbraw/zinc/35/33/08/1073353308.db2.gz MYZJRMWASZAZCI-SFHVURJKSA-N 1 0 441.550 0.694 20 0 ICADRO CN(Cc1ncnn1CC(F)F)c1nnc(CN2CCCC2=O)n1CC[NH+]1CCCC1 ZINC001618031190 1073356044 /nfs/dbraw/zinc/35/60/44/1073356044.db2.gz NQIXYUWZOOFMLO-UHFFFAOYSA-N 1 0 437.499 0.989 20 0 ICADRO Cn1cc([C@H]2C[N@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC23CCOCC3)cn1 ZINC001618033930 1073355934 /nfs/dbraw/zinc/35/59/34/1073355934.db2.gz GKZAKHOZIQCUSP-GOSISDBHSA-N 1 0 433.534 0.902 20 0 ICADRO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC23CCOCC3)cn1 ZINC001618033936 1073356109 /nfs/dbraw/zinc/35/61/09/1073356109.db2.gz GKZAKHOZIQCUSP-SFHVURJKSA-N 1 0 433.534 0.902 20 0 ICADRO Cn1cc([C@@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC23CCOCC3)cn1 ZINC001618034895 1073355981 /nfs/dbraw/zinc/35/59/81/1073355981.db2.gz ONMISMVQIYUXTQ-FQEVSTJZSA-N 1 0 441.532 0.797 20 0 ICADRO Cn1cc([C@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC23CCOCC3)cn1 ZINC001618034902 1073355887 /nfs/dbraw/zinc/35/58/87/1073355887.db2.gz ONMISMVQIYUXTQ-HXUWFJFHSA-N 1 0 441.532 0.797 20 0 ICADRO CN(Cc1ccon1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001618038453 1073356511 /nfs/dbraw/zinc/35/65/11/1073356511.db2.gz LWNJUXPZSWCTGZ-DOTOQJQBSA-N 1 0 438.554 0.651 20 0 ICADRO CN(Cc1ccon1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001618038455 1073356406 /nfs/dbraw/zinc/35/64/06/1073356406.db2.gz LWNJUXPZSWCTGZ-NVXWUHKLSA-N 1 0 438.554 0.651 20 0 ICADRO CN(Cc1ccon1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001618038457 1073356589 /nfs/dbraw/zinc/35/65/89/1073356589.db2.gz LWNJUXPZSWCTGZ-RDJZCZTQSA-N 1 0 438.554 0.651 20 0 ICADRO CN(Cc1ccon1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001618038458 1073356439 /nfs/dbraw/zinc/35/64/39/1073356439.db2.gz LWNJUXPZSWCTGZ-WBVHZDCISA-N 1 0 438.554 0.651 20 0 ICADRO CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[C@H]2CCO[C@@H]21 ZINC001618041378 1073356563 /nfs/dbraw/zinc/35/65/63/1073356563.db2.gz KVYDQXAHEVXTEJ-AHRSYUTCSA-N 1 0 437.562 0.727 20 0 ICADRO CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[C@@H]2CCO[C@@H]21 ZINC001618041379 1073356481 /nfs/dbraw/zinc/35/64/81/1073356481.db2.gz KVYDQXAHEVXTEJ-DBVUQKKJSA-N 1 0 437.562 0.727 20 0 ICADRO CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[C@H]2CCO[C@H]21 ZINC001618041380 1073356381 /nfs/dbraw/zinc/35/63/81/1073356381.db2.gz KVYDQXAHEVXTEJ-NSISKUIASA-N 1 0 437.562 0.727 20 0 ICADRO CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[C@@H]2CCO[C@H]21 ZINC001618041381 1073356555 /nfs/dbraw/zinc/35/65/55/1073356555.db2.gz KVYDQXAHEVXTEJ-PWIZWCRZSA-N 1 0 437.562 0.727 20 0 ICADRO CCN(C(=O)CN1C[C@H]2CC[N@H+](C)[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618055961 1073357340 /nfs/dbraw/zinc/35/73/40/1073357340.db2.gz VIRRQKLSAHWFAO-SJORKVTESA-N 1 0 426.521 0.568 20 0 ICADRO COc1ccc(NC(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)cc1S(=O)(=O)N(C)C ZINC001618061469 1073357738 /nfs/dbraw/zinc/35/77/38/1073357738.db2.gz BXFDSUHFNYKTEW-UHFFFAOYSA-N 1 0 442.582 0.709 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001618061581 1073357828 /nfs/dbraw/zinc/35/78/28/1073357828.db2.gz COJZVJZVNBXWAQ-CVEARBPZSA-N 1 0 426.583 0.725 20 0 ICADRO CC(C)[NH2+]C1(CO)CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001618061582 1073357748 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GYSGIXLMPPZNEE-IBGZPJMESA-N 1 0 426.587 0.063 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(CC3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618465547 1073393299 /nfs/dbraw/zinc/39/32/99/1073393299.db2.gz GYSGIXLMPPZNEE-LJQANCHMSA-N 1 0 426.587 0.063 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466025 1073393427 /nfs/dbraw/zinc/39/34/27/1073393427.db2.gz JGLBIOFLFYKCRJ-KBXCAEBGSA-N 1 0 430.475 0.802 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(CC3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466030 1073393274 /nfs/dbraw/zinc/39/32/74/1073393274.db2.gz JGLBIOFLFYKCRJ-KDOFPFPSSA-N 1 0 430.475 0.802 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466033 1073393215 /nfs/dbraw/zinc/39/32/15/1073393215.db2.gz JGLBIOFLFYKCRJ-KSSFIOAISA-N 1 0 430.475 0.802 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(CC3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466036 1073393875 /nfs/dbraw/zinc/39/38/75/1073393875.db2.gz JGLBIOFLFYKCRJ-RDTXWAMCSA-N 1 0 430.475 0.802 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466054 1073393739 /nfs/dbraw/zinc/39/37/39/1073393739.db2.gz JJQBPLGAKCRTBU-AVRDEDQJSA-N 1 0 428.537 0.337 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466055 1073393846 /nfs/dbraw/zinc/39/38/46/1073393846.db2.gz JJQBPLGAKCRTBU-GCJKJVERSA-N 1 0 428.537 0.337 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466056 1073393892 /nfs/dbraw/zinc/39/38/92/1073393892.db2.gz JJQBPLGAKCRTBU-PGRDOPGGSA-N 1 0 428.537 0.337 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466058 1073393859 /nfs/dbraw/zinc/39/38/59/1073393859.db2.gz JJQBPLGAKCRTBU-XMSQKQJNSA-N 1 0 428.537 0.337 20 0 ICADRO CN(CCCNC(=O)C1CCC1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618466156 1073393985 /nfs/dbraw/zinc/39/39/85/1073393985.db2.gz KJJICINBDQMXIS-JOCHJYFZSA-N 1 0 447.584 0.210 20 0 ICADRO CN(CCCNC(=O)C1CCC1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618466159 1073393724 /nfs/dbraw/zinc/39/37/24/1073393724.db2.gz KJJICINBDQMXIS-QFIPXVFZSA-N 1 0 447.584 0.210 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466391 1073393816 /nfs/dbraw/zinc/39/38/16/1073393816.db2.gz MTYTZYAJRQKLPJ-BEFAXECRSA-N 1 0 442.586 0.056 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466393 1073393831 /nfs/dbraw/zinc/39/38/31/1073393831.db2.gz MTYTZYAJRQKLPJ-DNVCBOLYSA-N 1 0 442.586 0.056 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466395 1073393669 /nfs/dbraw/zinc/39/36/69/1073393669.db2.gz MTYTZYAJRQKLPJ-HNAYVOBHSA-N 1 0 442.586 0.056 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466397 1073394000 /nfs/dbraw/zinc/39/40/00/1073394000.db2.gz MTYTZYAJRQKLPJ-KXBFYZLASA-N 1 0 442.586 0.056 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618466524 1073393932 /nfs/dbraw/zinc/39/39/32/1073393932.db2.gz AJUKIXXKRBKNBV-IBGZPJMESA-N 1 0 437.522 0.221 20 0 ICADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618466526 1073393757 /nfs/dbraw/zinc/39/37/57/1073393757.db2.gz AJUKIXXKRBKNBV-LJQANCHMSA-N 1 0 437.522 0.221 20 0 ICADRO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618466676 1073394237 /nfs/dbraw/zinc/39/42/37/1073394237.db2.gz NWPDVRRUIKFBOQ-GOSISDBHSA-N 1 0 427.596 0.868 20 0 ICADRO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618466677 1073394445 /nfs/dbraw/zinc/39/44/45/1073394445.db2.gz NWPDVRRUIKFBOQ-SFHVURJKSA-N 1 0 427.596 0.868 20 0 ICADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618466706 1073394261 /nfs/dbraw/zinc/39/42/61/1073394261.db2.gz OLKMBYVCMCBBDK-AVRDEDQJSA-N 1 0 428.537 0.974 20 0 ICADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618466707 1073394421 /nfs/dbraw/zinc/39/44/21/1073394421.db2.gz OLKMBYVCMCBBDK-GCJKJVERSA-N 1 0 428.537 0.974 20 0 ICADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618466708 1073394379 /nfs/dbraw/zinc/39/43/79/1073394379.db2.gz OLKMBYVCMCBBDK-PGRDOPGGSA-N 1 0 428.537 0.974 20 0 ICADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618466709 1073394536 /nfs/dbraw/zinc/39/45/36/1073394536.db2.gz OLKMBYVCMCBBDK-XMSQKQJNSA-N 1 0 428.537 0.974 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467051 1073394207 /nfs/dbraw/zinc/39/42/07/1073394207.db2.gz QFCCRSLQFYSHHR-KBXCAEBGSA-N 1 0 445.490 0.370 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467054 1073394556 /nfs/dbraw/zinc/39/45/56/1073394556.db2.gz QFCCRSLQFYSHHR-KDOFPFPSSA-N 1 0 445.490 0.370 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467056 1073394290 /nfs/dbraw/zinc/39/42/90/1073394290.db2.gz QFCCRSLQFYSHHR-KSSFIOAISA-N 1 0 445.490 0.370 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467059 1073394575 /nfs/dbraw/zinc/39/45/75/1073394575.db2.gz QFCCRSLQFYSHHR-RDTXWAMCSA-N 1 0 445.490 0.370 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001618467120 1073394405 /nfs/dbraw/zinc/39/44/05/1073394405.db2.gz RBAVCKMVAOQYCR-JOCHJYFZSA-N 1 0 433.601 0.288 20 0 ICADRO CN(C)C(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001618467121 1073394181 /nfs/dbraw/zinc/39/41/81/1073394181.db2.gz RBAVCKMVAOQYCR-QFIPXVFZSA-N 1 0 433.601 0.288 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467246 1073394155 /nfs/dbraw/zinc/39/41/55/1073394155.db2.gz SZXFJUTWUDIJLB-APWZRJJASA-N 1 0 427.571 0.600 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467247 1073394472 /nfs/dbraw/zinc/39/44/72/1073394472.db2.gz SZXFJUTWUDIJLB-LPHOPBHVSA-N 1 0 427.571 0.600 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467248 1073394391 /nfs/dbraw/zinc/39/43/91/1073394391.db2.gz SZXFJUTWUDIJLB-QFBILLFUSA-N 1 0 427.571 0.600 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467249 1073394506 /nfs/dbraw/zinc/39/45/06/1073394506.db2.gz SZXFJUTWUDIJLB-VQIMIIECSA-N 1 0 427.571 0.600 20 0 ICADRO CN(CCN1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618467832 1073394904 /nfs/dbraw/zinc/39/49/04/1073394904.db2.gz XGPXTEOHIOATHZ-HSZRJFAPSA-N 1 0 444.580 0.735 20 0 ICADRO CN(CCN1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618467841 1073395150 /nfs/dbraw/zinc/39/51/50/1073395150.db2.gz XGPXTEOHIOATHZ-QHCPKHFHSA-N 1 0 444.580 0.735 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618468056 1073395411 /nfs/dbraw/zinc/39/54/11/1073395411.db2.gz XVBSHZDLFCWAMW-JOCHJYFZSA-N 1 0 446.527 0.370 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618468058 1073395358 /nfs/dbraw/zinc/39/53/58/1073395358.db2.gz XVBSHZDLFCWAMW-QFIPXVFZSA-N 1 0 446.527 0.370 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468279 1073395387 /nfs/dbraw/zinc/39/53/87/1073395387.db2.gz YZTIPZUGTLBNLP-CXAGYDPISA-N 1 0 425.331 0.785 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468281 1073394972 /nfs/dbraw/zinc/39/49/72/1073394972.db2.gz YZTIPZUGTLBNLP-DYVFJYSZSA-N 1 0 425.331 0.785 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468283 1073395441 /nfs/dbraw/zinc/39/54/41/1073395441.db2.gz YZTIPZUGTLBNLP-GUYCJALGSA-N 1 0 425.331 0.785 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468285 1073395133 /nfs/dbraw/zinc/39/51/33/1073395133.db2.gz YZTIPZUGTLBNLP-SUMWQHHRSA-N 1 0 425.331 0.785 20 0 ICADRO CN(C[C@@H]1CCCN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618468430 1073396018 /nfs/dbraw/zinc/39/60/18/1073396018.db2.gz ZMLLSGVROYSXCC-FXAWDEMLSA-N 1 0 440.614 0.405 20 0 ICADRO CN(C[C@@H]1CCCN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618468432 1073395747 /nfs/dbraw/zinc/39/57/47/1073395747.db2.gz ZMLLSGVROYSXCC-PXNSSMCTSA-N 1 0 440.614 0.405 20 0 ICADRO CN(C[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618468435 1073395923 /nfs/dbraw/zinc/39/59/23/1073395923.db2.gz ZMLLSGVROYSXCC-XLIONFOSSA-N 1 0 440.614 0.405 20 0 ICADRO CN(C[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618468436 1073395673 /nfs/dbraw/zinc/39/56/73/1073395673.db2.gz ZMLLSGVROYSXCC-YLJYHZDGSA-N 1 0 440.614 0.405 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618468612 1073395997 /nfs/dbraw/zinc/39/59/97/1073395997.db2.gz MJYCDFBYJYVTJC-FQEVSTJZSA-N 1 0 449.581 0.172 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618468613 1073395603 /nfs/dbraw/zinc/39/56/03/1073395603.db2.gz MJYCDFBYJYVTJC-HXUWFJFHSA-N 1 0 449.581 0.172 20 0 ICADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618468849 1073395801 /nfs/dbraw/zinc/39/58/01/1073395801.db2.gz NZTWBCXMDVCEHV-JOCHJYFZSA-N 1 0 441.536 0.316 20 0 ICADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618468851 1073396099 /nfs/dbraw/zinc/39/60/99/1073396099.db2.gz NZTWBCXMDVCEHV-QFIPXVFZSA-N 1 0 441.536 0.316 20 0 ICADRO CN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CC[N@H+](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001618468898 1073395875 /nfs/dbraw/zinc/39/58/75/1073395875.db2.gz OKDNERNPXHHXQD-IBGZPJMESA-N 1 0 437.570 0.200 20 0 ICADRO CN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001618468901 1073395775 /nfs/dbraw/zinc/39/57/75/1073395775.db2.gz OKDNERNPXHHXQD-LJQANCHMSA-N 1 0 437.570 0.200 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618469322 1073396819 /nfs/dbraw/zinc/39/68/19/1073396819.db2.gz TXXVGNKSSWXETH-JXFKEZNVSA-N 1 0 434.566 0.810 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618469323 1073396406 /nfs/dbraw/zinc/39/64/06/1073396406.db2.gz TXXVGNKSSWXETH-OXJNMPFZSA-N 1 0 434.566 0.810 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618469324 1073396522 /nfs/dbraw/zinc/39/65/22/1073396522.db2.gz TXXVGNKSSWXETH-OXQOHEQNSA-N 1 0 434.566 0.810 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618469325 1073396721 /nfs/dbraw/zinc/39/67/21/1073396721.db2.gz TXXVGNKSSWXETH-UZLBHIALSA-N 1 0 434.566 0.810 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001618469372 1073396452 /nfs/dbraw/zinc/39/64/52/1073396452.db2.gz UVPAGWADLOEVHV-GOSISDBHSA-N 1 0 425.942 0.900 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001618469373 1073396754 /nfs/dbraw/zinc/39/67/54/1073396754.db2.gz UVPAGWADLOEVHV-SFHVURJKSA-N 1 0 425.942 0.900 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618469376 1073396353 /nfs/dbraw/zinc/39/63/53/1073396353.db2.gz UYOYDHWEDWFJAB-NRFANRHFSA-N 1 0 448.955 0.960 20 0 ICADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618469377 1073396628 /nfs/dbraw/zinc/39/66/28/1073396628.db2.gz UYOYDHWEDWFJAB-OAQYLSRUSA-N 1 0 448.955 0.960 20 0 ICADRO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618469464 1073396302 /nfs/dbraw/zinc/39/63/02/1073396302.db2.gz WZHBNTOBSVQQKH-HRAATJIYSA-N 1 0 429.525 0.997 20 0 ICADRO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618469465 1073396645 /nfs/dbraw/zinc/39/66/45/1073396645.db2.gz WZHBNTOBSVQQKH-IERDGZPVSA-N 1 0 429.525 0.997 20 0 ICADRO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618469466 1073396799 /nfs/dbraw/zinc/39/67/99/1073396799.db2.gz WZHBNTOBSVQQKH-IIBYNOLFSA-N 1 0 429.525 0.997 20 0 ICADRO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618469467 1073396387 /nfs/dbraw/zinc/39/63/87/1073396387.db2.gz WZHBNTOBSVQQKH-KKSFZXQISA-N 1 0 429.525 0.997 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618469500 1073396370 /nfs/dbraw/zinc/39/63/70/1073396370.db2.gz XKOPQEMVIZRWCM-BEFAXECRSA-N 1 0 437.570 0.105 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618469501 1073397485 /nfs/dbraw/zinc/39/74/85/1073397485.db2.gz XKOPQEMVIZRWCM-DNVCBOLYSA-N 1 0 437.570 0.105 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618469502 1073397333 /nfs/dbraw/zinc/39/73/33/1073397333.db2.gz XKOPQEMVIZRWCM-HNAYVOBHSA-N 1 0 437.570 0.105 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618469503 1073397106 /nfs/dbraw/zinc/39/71/06/1073397106.db2.gz XKOPQEMVIZRWCM-KXBFYZLASA-N 1 0 437.570 0.105 20 0 ICADRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618469598 1073397390 /nfs/dbraw/zinc/39/73/90/1073397390.db2.gz ZJBMTEQEMXBHPZ-NRFANRHFSA-N 1 0 432.573 0.292 20 0 ICADRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618469599 1073397252 /nfs/dbraw/zinc/39/72/52/1073397252.db2.gz ZJBMTEQEMXBHPZ-OAQYLSRUSA-N 1 0 432.573 0.292 20 0 ICADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCC(=O)NC(=O)NCC(F)(F)F ZINC001618471024 1073397544 /nfs/dbraw/zinc/39/75/44/1073397544.db2.gz FJQOVILRCZCPAQ-UHFFFAOYSA-N 1 0 444.407 0.562 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(N3CCC[C@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471406 1073397317 /nfs/dbraw/zinc/39/73/17/1073397317.db2.gz HMAIFSJHCDGWSU-JXFKEZNVSA-N 1 0 440.614 0.647 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(N3CCC[C@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471412 1073397134 /nfs/dbraw/zinc/39/71/34/1073397134.db2.gz HMAIFSJHCDGWSU-OXJNMPFZSA-N 1 0 440.614 0.647 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(N3CCC[C@@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471416 1073397082 /nfs/dbraw/zinc/39/70/82/1073397082.db2.gz HMAIFSJHCDGWSU-OXQOHEQNSA-N 1 0 440.614 0.647 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(N3CCC[C@@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471419 1073397568 /nfs/dbraw/zinc/39/75/68/1073397568.db2.gz HMAIFSJHCDGWSU-UZLBHIALSA-N 1 0 440.614 0.647 20 0 ICADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)CN1CCOCC1 ZINC001618471650 1073397060 /nfs/dbraw/zinc/39/70/60/1073397060.db2.gz KVTWHYCCFOWYJO-UHFFFAOYSA-N 1 0 426.583 0.425 20 0 ICADRO CN(C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618472274 1073397039 /nfs/dbraw/zinc/39/70/39/1073397039.db2.gz LZZHSKIQZXJBAV-JXFKEZNVSA-N 1 0 442.630 0.750 20 0 ICADRO CN(C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618472276 1073397599 /nfs/dbraw/zinc/39/75/99/1073397599.db2.gz LZZHSKIQZXJBAV-OXJNMPFZSA-N 1 0 442.630 0.750 20 0 ICADRO CN(C[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618472277 1073397162 /nfs/dbraw/zinc/39/71/62/1073397162.db2.gz LZZHSKIQZXJBAV-OXQOHEQNSA-N 1 0 442.630 0.750 20 0 ICADRO CN(C[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001618472278 1073397353 /nfs/dbraw/zinc/39/73/53/1073397353.db2.gz LZZHSKIQZXJBAV-UZLBHIALSA-N 1 0 442.630 0.750 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001618473057 1073398077 /nfs/dbraw/zinc/39/80/77/1073398077.db2.gz TXSZMTDISCLDSR-LEWJYISDSA-N 1 0 432.500 0.765 20 0 ICADRO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001618473058 1073397863 /nfs/dbraw/zinc/39/78/63/1073397863.db2.gz TXSZMTDISCLDSR-NHCUHLMSSA-N 1 0 432.500 0.765 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001618473059 1073398001 /nfs/dbraw/zinc/39/80/01/1073398001.db2.gz TXSZMTDISCLDSR-RTWAWAEBSA-N 1 0 432.500 0.765 20 0 ICADRO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001618473060 1073397929 /nfs/dbraw/zinc/39/79/29/1073397929.db2.gz TXSZMTDISCLDSR-SFTDATJTSA-N 1 0 432.500 0.765 20 0 ICADRO Cn1ccc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001618473092 1073398103 /nfs/dbraw/zinc/39/81/03/1073398103.db2.gz UQGZFZFWLAGHOB-IBGZPJMESA-N 1 0 431.522 0.892 20 0 ICADRO Cn1ccc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001618473093 1073397955 /nfs/dbraw/zinc/39/79/55/1073397955.db2.gz UQGZFZFWLAGHOB-LJQANCHMSA-N 1 0 431.522 0.892 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 ZINC001618474048 1073397898 /nfs/dbraw/zinc/39/78/98/1073397898.db2.gz CWLXDQHPHNRPHF-KRWDZBQOSA-N 1 0 431.585 0.845 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 ZINC001618474049 1073398014 /nfs/dbraw/zinc/39/80/14/1073398014.db2.gz CWLXDQHPHNRPHF-QGZVFWFLSA-N 1 0 431.585 0.845 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001618474584 1073398047 /nfs/dbraw/zinc/39/80/47/1073398047.db2.gz GSJVXMJPUNLFOZ-IAGOWNOFSA-N 1 0 431.585 0.888 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001618474585 1073397824 /nfs/dbraw/zinc/39/78/24/1073397824.db2.gz GSJVXMJPUNLFOZ-SJORKVTESA-N 1 0 431.585 0.888 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001618475250 1073398723 /nfs/dbraw/zinc/39/87/23/1073398723.db2.gz LUDQUYYYRKKUDX-HNNXBMFYSA-N 1 0 439.511 0.355 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001618475251 1073398433 /nfs/dbraw/zinc/39/84/33/1073398433.db2.gz LUDQUYYYRKKUDX-OAHLLOKOSA-N 1 0 439.511 0.355 20 0 ICADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)CC1 ZINC001618476107 1073399090 /nfs/dbraw/zinc/39/90/90/1073399090.db2.gz UYDFGHJGMOTYHD-HNNXBMFYSA-N 1 0 426.587 0.363 20 0 ICADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)CC1 ZINC001618476115 1073399248 /nfs/dbraw/zinc/39/92/48/1073399248.db2.gz UYDFGHJGMOTYHD-OAHLLOKOSA-N 1 0 426.587 0.363 20 0 ICADRO C[NH+](C)CCSc1nc(CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cs1 ZINC001618476205 1073399333 /nfs/dbraw/zinc/39/93/33/1073399333.db2.gz PRZKWWWMOUOUHB-HNNXBMFYSA-N 1 0 441.623 0.389 20 0 ICADRO C[NH+](C)CCSc1nc(CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cs1 ZINC001618476207 1073399206 /nfs/dbraw/zinc/39/92/06/1073399206.db2.gz PRZKWWWMOUOUHB-OAHLLOKOSA-N 1 0 441.623 0.389 20 0 ICADRO O=C(CN1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618484061 1073403696 /nfs/dbraw/zinc/40/36/96/1073403696.db2.gz DSUTYYYDAHTYCW-GOSISDBHSA-N 1 0 447.561 0.352 20 0 ICADRO O=C(CN1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618484062 1073403606 /nfs/dbraw/zinc/40/36/06/1073403606.db2.gz DSUTYYYDAHTYCW-SFHVURJKSA-N 1 0 447.561 0.352 20 0 ICADRO C[N@@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1(C)C ZINC001618488324 1073405379 /nfs/dbraw/zinc/40/53/79/1073405379.db2.gz JYODFPGGVTYCJC-KRWDZBQOSA-N 1 0 440.614 0.433 20 0 ICADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1(C)C ZINC001618488327 1073405310 /nfs/dbraw/zinc/40/53/10/1073405310.db2.gz JYODFPGGVTYCJC-QGZVFWFLSA-N 1 0 440.614 0.433 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC001618488337 1073405346 /nfs/dbraw/zinc/40/53/46/1073405346.db2.gz KCIJCMVBCLBVNN-KRWDZBQOSA-N 1 0 443.600 0.796 20 0 ICADRO Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC001618488338 1073405417 /nfs/dbraw/zinc/40/54/17/1073405417.db2.gz KCIJCMVBCLBVNN-QGZVFWFLSA-N 1 0 443.600 0.796 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618488512 1073406399 /nfs/dbraw/zinc/40/63/99/1073406399.db2.gz NTRXFCMRPIEDRS-UHFFFAOYSA-N 1 0 440.596 0.992 20 0 ICADRO C[N@@H+]1CCN(CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489187 1073406592 /nfs/dbraw/zinc/40/65/92/1073406592.db2.gz TYOZYIIPJZDUJT-MRXNPFEDSA-N 1 0 427.557 0.463 20 0 ICADRO C[N@@H+]1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618489263 1073406497 /nfs/dbraw/zinc/40/64/97/1073406497.db2.gz UQJBTQWPVPIQIN-UHFFFAOYSA-N 1 0 446.600 0.128 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489380 1073406453 /nfs/dbraw/zinc/40/64/53/1073406453.db2.gz YEGJLJLNCYSWET-IBGZPJMESA-N 1 0 440.596 0.992 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489381 1073405955 /nfs/dbraw/zinc/40/59/55/1073405955.db2.gz YEGJLJLNCYSWET-LJQANCHMSA-N 1 0 440.596 0.992 20 0 ICADRO C[N@@H+]1CCN(CCn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489632 1073406273 /nfs/dbraw/zinc/40/62/73/1073406273.db2.gz ZZUAQNRUGKSSEV-IBGZPJMESA-N 1 0 440.596 0.992 20 0 ICADRO Cn1nnc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001618494834 1073407555 /nfs/dbraw/zinc/40/75/55/1073407555.db2.gz RPFUGPUVCAHZDZ-UHFFFAOYSA-N 1 0 430.561 0.644 20 0 ICADRO Cn1c(N)c(C(=O)C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC001618497845 1073408023 /nfs/dbraw/zinc/40/80/23/1073408023.db2.gz OKOMTWYWPKRJDW-UONOGXRCSA-N 1 0 439.438 0.469 20 0 ICADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001618501430 1073409835 /nfs/dbraw/zinc/40/98/35/1073409835.db2.gz WAVIDOZZRCLWKN-KBXCAEBGSA-N 1 0 445.969 0.691 20 0 ICADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001618501431 1073409714 /nfs/dbraw/zinc/40/97/14/1073409714.db2.gz WAVIDOZZRCLWKN-KSSFIOAISA-N 1 0 445.969 0.691 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001618508752 1073410591 /nfs/dbraw/zinc/41/05/91/1073410591.db2.gz FCYVQBUXWWCTJJ-UHFFFAOYSA-N 1 0 442.568 0.790 20 0 ICADRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC001618511669 1073411374 /nfs/dbraw/zinc/41/13/74/1073411374.db2.gz UMAHYPKZUYDXGB-BMANGOCTSA-N 1 0 431.518 0.644 20 0 ICADRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC001618511673 1073411482 /nfs/dbraw/zinc/41/14/82/1073411482.db2.gz UMAHYPKZUYDXGB-CCAPLTMGSA-N 1 0 431.518 0.644 20 0 ICADRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC001618511676 1073411214 /nfs/dbraw/zinc/41/12/14/1073411214.db2.gz UMAHYPKZUYDXGB-HEUOVEHFSA-N 1 0 431.518 0.644 20 0 ICADRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC001618511678 1073412200 /nfs/dbraw/zinc/41/22/00/1073412200.db2.gz UMAHYPKZUYDXGB-VGVSSDJJSA-N 1 0 431.518 0.644 20 0 ICADRO CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001618516265 1073414603 /nfs/dbraw/zinc/41/46/03/1073414603.db2.gz RXBURPZXHUCAPB-HNNXBMFYSA-N 1 0 440.614 0.919 20 0 ICADRO CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001618516266 1073414646 /nfs/dbraw/zinc/41/46/46/1073414646.db2.gz RXBURPZXHUCAPB-OAHLLOKOSA-N 1 0 440.614 0.919 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001618523051 1073415232 /nfs/dbraw/zinc/41/52/32/1073415232.db2.gz LELXSFSNYVZNDE-INIZCTEOSA-N 1 0 435.573 0.330 20 0 ICADRO CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001618523053 1073415440 /nfs/dbraw/zinc/41/54/40/1073415440.db2.gz LELXSFSNYVZNDE-MRXNPFEDSA-N 1 0 435.573 0.330 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCCC1 ZINC001618527539 1073416034 /nfs/dbraw/zinc/41/60/34/1073416034.db2.gz BAMVEXLVJWXJFN-CVEARBPZSA-N 1 0 443.618 0.583 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCCC1 ZINC001618527542 1073416181 /nfs/dbraw/zinc/41/61/81/1073416181.db2.gz BAMVEXLVJWXJFN-HOTGVXAUSA-N 1 0 443.618 0.583 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCCC1 ZINC001618527544 1073416023 /nfs/dbraw/zinc/41/60/23/1073416023.db2.gz BAMVEXLVJWXJFN-HZPDHXFCSA-N 1 0 443.618 0.583 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCCC1 ZINC001618527546 1073416124 /nfs/dbraw/zinc/41/61/24/1073416124.db2.gz BAMVEXLVJWXJFN-JKSUJKDBSA-N 1 0 443.618 0.583 20 0 ICADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618530021 1073417351 /nfs/dbraw/zinc/41/73/51/1073417351.db2.gz VALHLAQEVQKTPC-MOPGFXCFSA-N 1 0 439.578 0.855 20 0 ICADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618530022 1073417393 /nfs/dbraw/zinc/41/73/93/1073417393.db2.gz VALHLAQEVQKTPC-OALUTQOASA-N 1 0 439.578 0.855 20 0 ICADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618530024 1073417263 /nfs/dbraw/zinc/41/72/63/1073417263.db2.gz VALHLAQEVQKTPC-RBUKOAKNSA-N 1 0 439.578 0.855 20 0 ICADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618530027 1073417200 /nfs/dbraw/zinc/41/72/00/1073417200.db2.gz VALHLAQEVQKTPC-RTBURBONSA-N 1 0 439.578 0.855 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001618531382 1073418737 /nfs/dbraw/zinc/41/87/37/1073418737.db2.gz DCLMBZPBJXNPOP-BVUBDWEXSA-N 1 0 431.455 0.935 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001618531383 1073418532 /nfs/dbraw/zinc/41/85/32/1073418532.db2.gz DCLMBZPBJXNPOP-OEAJRASXSA-N 1 0 431.455 0.935 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001618531384 1073418601 /nfs/dbraw/zinc/41/86/01/1073418601.db2.gz DCLMBZPBJXNPOP-SLBVQIDZSA-N 1 0 431.455 0.935 20 0 ICADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001618531385 1073418634 /nfs/dbraw/zinc/41/86/34/1073418634.db2.gz DCLMBZPBJXNPOP-SYAUCNOPSA-N 1 0 431.455 0.935 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618536629 1073419253 /nfs/dbraw/zinc/41/92/53/1073419253.db2.gz YSWASNLNSWOWAR-CZAAIQMYSA-N 1 0 438.573 0.204 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618536630 1073419272 /nfs/dbraw/zinc/41/92/72/1073419272.db2.gz YSWASNLNSWOWAR-HBGVWJBISA-N 1 0 438.573 0.204 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618536631 1073419355 /nfs/dbraw/zinc/41/93/55/1073419355.db2.gz YSWASNLNSWOWAR-MAODMQOUSA-N 1 0 438.573 0.204 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618536632 1073419317 /nfs/dbraw/zinc/41/93/17/1073419317.db2.gz YSWASNLNSWOWAR-TYCQWZJGSA-N 1 0 438.573 0.204 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[NH+]1CCCC1 ZINC001618538963 1073419367 /nfs/dbraw/zinc/41/93/67/1073419367.db2.gz HZFIMSRNFWFKJE-INIZCTEOSA-N 1 0 438.540 0.835 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[NH+]1CCCC1 ZINC001618538964 1073419351 /nfs/dbraw/zinc/41/93/51/1073419351.db2.gz HZFIMSRNFWFKJE-MRXNPFEDSA-N 1 0 438.540 0.835 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618540787 1073420097 /nfs/dbraw/zinc/42/00/97/1073420097.db2.gz UNZBBLGJKNTSRF-IVZQSRNASA-N 1 0 446.552 0.847 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618540790 1073420079 /nfs/dbraw/zinc/42/00/79/1073420079.db2.gz UNZBBLGJKNTSRF-NYHFZMIOSA-N 1 0 446.552 0.847 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618540792 1073420011 /nfs/dbraw/zinc/42/00/11/1073420011.db2.gz UNZBBLGJKNTSRF-OYHNWAKOSA-N 1 0 446.552 0.847 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618540794 1073420104 /nfs/dbraw/zinc/42/01/04/1073420104.db2.gz UNZBBLGJKNTSRF-QRQCRPRQSA-N 1 0 446.552 0.847 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618543052 1073419918 /nfs/dbraw/zinc/41/99/18/1073419918.db2.gz AMEFSOMGPCYLFX-IVZQSRNASA-N 1 0 444.536 0.601 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618543068 1073420127 /nfs/dbraw/zinc/42/01/27/1073420127.db2.gz AMEFSOMGPCYLFX-NYHFZMIOSA-N 1 0 444.536 0.601 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618543070 1073419982 /nfs/dbraw/zinc/41/99/82/1073419982.db2.gz AMEFSOMGPCYLFX-OYHNWAKOSA-N 1 0 444.536 0.601 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618543072 1073420088 /nfs/dbraw/zinc/42/00/88/1073420088.db2.gz AMEFSOMGPCYLFX-QRQCRPRQSA-N 1 0 444.536 0.601 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001618543785 1073419937 /nfs/dbraw/zinc/41/99/37/1073419937.db2.gz SYFPVPNNAHSAIV-AEFFLSMTSA-N 1 0 432.573 0.854 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001618543789 1073420060 /nfs/dbraw/zinc/42/00/60/1073420060.db2.gz SYFPVPNNAHSAIV-FUHWJXTLSA-N 1 0 432.573 0.854 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001618543790 1073420048 /nfs/dbraw/zinc/42/00/48/1073420048.db2.gz SYFPVPNNAHSAIV-SJLPKXTDSA-N 1 0 432.573 0.854 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001618543791 1073420617 /nfs/dbraw/zinc/42/06/17/1073420617.db2.gz SYFPVPNNAHSAIV-WMZOPIPTSA-N 1 0 432.573 0.854 20 0 ICADRO COc1ccc(NC(=O)C[NH2+]C(C)(C)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC001618547685 1073421752 /nfs/dbraw/zinc/42/17/52/1073421752.db2.gz NKIWAXOGYJZDEB-UHFFFAOYSA-N 1 0 428.555 0.584 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[NH+]1CCSCC1 ZINC001618548525 1073421826 /nfs/dbraw/zinc/42/18/26/1073421826.db2.gz SZFKMXYVRWCHEP-AWEZNQCLSA-N 1 0 449.581 0.873 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[NH+]1CCSCC1 ZINC001618548527 1073421896 /nfs/dbraw/zinc/42/18/96/1073421896.db2.gz SZFKMXYVRWCHEP-CQSZACIVSA-N 1 0 449.581 0.873 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001618549012 1073421849 /nfs/dbraw/zinc/42/18/49/1073421849.db2.gz XNHQCSMYCNFZBZ-BRWVUGGUSA-N 1 0 432.573 0.996 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001618549013 1073421960 /nfs/dbraw/zinc/42/19/60/1073421960.db2.gz XNHQCSMYCNFZBZ-IKGGRYGDSA-N 1 0 432.573 0.996 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001618549014 1073422001 /nfs/dbraw/zinc/42/20/01/1073422001.db2.gz XNHQCSMYCNFZBZ-YESZJQIVSA-N 1 0 432.573 0.996 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001618549015 1073421785 /nfs/dbraw/zinc/42/17/85/1073421785.db2.gz XNHQCSMYCNFZBZ-ZACQAIPSSA-N 1 0 432.573 0.996 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001618553773 1073422558 /nfs/dbraw/zinc/42/25/58/1073422558.db2.gz GRNACEUGNJOFQK-BBWFWOEESA-N 1 0 440.614 0.730 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001618553774 1073422571 /nfs/dbraw/zinc/42/25/71/1073422571.db2.gz GRNACEUGNJOFQK-BRWVUGGUSA-N 1 0 440.614 0.730 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001618553775 1073422655 /nfs/dbraw/zinc/42/26/55/1073422655.db2.gz GRNACEUGNJOFQK-GVDBMIGSSA-N 1 0 440.614 0.730 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001618553776 1073422671 /nfs/dbraw/zinc/42/26/71/1073422671.db2.gz GRNACEUGNJOFQK-ZACQAIPSSA-N 1 0 440.614 0.730 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001618555760 1073423337 /nfs/dbraw/zinc/42/33/37/1073423337.db2.gz YHQLUKOBLDYYDQ-IRXDYDNUSA-N 1 0 447.584 0.693 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001618555761 1073423243 /nfs/dbraw/zinc/42/32/43/1073423243.db2.gz YHQLUKOBLDYYDQ-SJORKVTESA-N 1 0 447.584 0.693 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001618557164 1073423762 /nfs/dbraw/zinc/42/37/62/1073423762.db2.gz UWDYKUOGHRXXQZ-CVEARBPZSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001618557167 1073423657 /nfs/dbraw/zinc/42/36/57/1073423657.db2.gz UWDYKUOGHRXXQZ-HOTGVXAUSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001618557171 1073423927 /nfs/dbraw/zinc/42/39/27/1073423927.db2.gz UWDYKUOGHRXXQZ-HZPDHXFCSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001618557173 1073423575 /nfs/dbraw/zinc/42/35/75/1073423575.db2.gz UWDYKUOGHRXXQZ-JKSUJKDBSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001618557424 1073423779 /nfs/dbraw/zinc/42/37/79/1073423779.db2.gz WPJHBEQTVTVESF-DLBZAZTESA-N 1 0 440.614 0.875 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001618557428 1073423913 /nfs/dbraw/zinc/42/39/13/1073423913.db2.gz WPJHBEQTVTVESF-IAGOWNOFSA-N 1 0 440.614 0.875 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001618557432 1073423862 /nfs/dbraw/zinc/42/38/62/1073423862.db2.gz WPJHBEQTVTVESF-IRXDYDNUSA-N 1 0 440.614 0.875 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCCC1 ZINC001618557437 1073423822 /nfs/dbraw/zinc/42/38/22/1073423822.db2.gz WPJHBEQTVTVESF-SJORKVTESA-N 1 0 440.614 0.875 20 0 ICADRO NC(=O)[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC001618559009 1073424279 /nfs/dbraw/zinc/42/42/79/1073424279.db2.gz JIFFXWWDRZGALJ-RBUKOAKNSA-N 1 0 430.530 0.194 20 0 ICADRO Cn1c2ncn(CC[N@H+](C)C[C@H](O)c3ccccc3Br)c2c(=O)n(C)c1=O ZINC001618559564 1073424473 /nfs/dbraw/zinc/42/44/73/1073424473.db2.gz VJRDZMPAJPXAHE-AWEZNQCLSA-N 1 0 436.310 0.862 20 0 ICADRO Cn1c2ncn(CC[N@H+](C)C[C@@H](O)c3ccccc3Br)c2c(=O)n(C)c1=O ZINC001618559565 1073424345 /nfs/dbraw/zinc/42/43/45/1073424345.db2.gz VJRDZMPAJPXAHE-CQSZACIVSA-N 1 0 436.310 0.862 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001618563751 1073425166 /nfs/dbraw/zinc/42/51/66/1073425166.db2.gz LPETVSRVUZGQRA-NRFANRHFSA-N 1 0 435.573 0.226 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001618563764 1073425217 /nfs/dbraw/zinc/42/52/17/1073425217.db2.gz LPETVSRVUZGQRA-OAQYLSRUSA-N 1 0 435.573 0.226 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001618564357 1073425771 /nfs/dbraw/zinc/42/57/71/1073425771.db2.gz OREGMRLDXGPUNS-JOCHJYFZSA-N 1 0 448.616 0.405 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001618564359 1073425939 /nfs/dbraw/zinc/42/59/39/1073425939.db2.gz OREGMRLDXGPUNS-QFIPXVFZSA-N 1 0 448.616 0.405 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001618565943 1073426536 /nfs/dbraw/zinc/42/65/36/1073426536.db2.gz XPGIOBLWBQQYEY-FGTMMUONSA-N 1 0 449.600 0.891 20 0 ICADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001618565945 1073427253 /nfs/dbraw/zinc/42/72/53/1073427253.db2.gz XPGIOBLWBQQYEY-KZNAEPCWSA-N 1 0 449.600 0.891 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001618565946 1073427295 /nfs/dbraw/zinc/42/72/95/1073427295.db2.gz XPGIOBLWBQQYEY-OKZBNKHCSA-N 1 0 449.600 0.891 20 0 ICADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001618565948 1073427224 /nfs/dbraw/zinc/42/72/24/1073427224.db2.gz XPGIOBLWBQQYEY-RCCFBDPRSA-N 1 0 449.600 0.891 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618574569 1073428451 /nfs/dbraw/zinc/42/84/51/1073428451.db2.gz WLWUBWSMNSJACF-BEFAXECRSA-N 1 0 441.602 0.337 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618574570 1073429183 /nfs/dbraw/zinc/42/91/83/1073429183.db2.gz WLWUBWSMNSJACF-DNVCBOLYSA-N 1 0 441.602 0.337 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618574571 1073429327 /nfs/dbraw/zinc/42/93/27/1073429327.db2.gz WLWUBWSMNSJACF-HNAYVOBHSA-N 1 0 441.602 0.337 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618574572 1073429254 /nfs/dbraw/zinc/42/92/54/1073429254.db2.gz WLWUBWSMNSJACF-KXBFYZLASA-N 1 0 441.602 0.337 20 0 ICADRO COC1([C@H](C)[NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCC1 ZINC001618582267 1073430102 /nfs/dbraw/zinc/43/01/02/1073430102.db2.gz AXKZUXPAJQUUAE-INIZCTEOSA-N 1 0 425.551 0.871 20 0 ICADRO COC1([C@@H](C)[NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCC1 ZINC001618582269 1073430044 /nfs/dbraw/zinc/43/00/44/1073430044.db2.gz AXKZUXPAJQUUAE-MRXNPFEDSA-N 1 0 425.551 0.871 20 0 ICADRO COC1([C@H](C)[NH2+]CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC001618583647 1073430728 /nfs/dbraw/zinc/43/07/28/1073430728.db2.gz XUEQEAXXUQZOHZ-INIZCTEOSA-N 1 0 425.551 0.871 20 0 ICADRO COC1([C@@H](C)[NH2+]CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC001618583648 1073430559 /nfs/dbraw/zinc/43/05/59/1073430559.db2.gz XUEQEAXXUQZOHZ-MRXNPFEDSA-N 1 0 425.551 0.871 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001618587346 1073433269 /nfs/dbraw/zinc/43/32/69/1073433269.db2.gz NTIKLGOIAYZMTJ-BEFAXECRSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001618587347 1073433500 /nfs/dbraw/zinc/43/35/00/1073433500.db2.gz NTIKLGOIAYZMTJ-DNVCBOLYSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001618587348 1073433201 /nfs/dbraw/zinc/43/32/01/1073433201.db2.gz NTIKLGOIAYZMTJ-HNAYVOBHSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001618587350 1073432688 /nfs/dbraw/zinc/43/26/88/1073432688.db2.gz NTIKLGOIAYZMTJ-KXBFYZLASA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001618587389 1073433313 /nfs/dbraw/zinc/43/33/13/1073433313.db2.gz OSRWYYPTJNCSKN-JXFKEZNVSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001618587391 1073433552 /nfs/dbraw/zinc/43/35/52/1073433552.db2.gz OSRWYYPTJNCSKN-OXJNMPFZSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001618587392 1073433393 /nfs/dbraw/zinc/43/33/93/1073433393.db2.gz OSRWYYPTJNCSKN-OXQOHEQNSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)C1 ZINC001618587393 1073433231 /nfs/dbraw/zinc/43/32/31/1073433231.db2.gz OSRWYYPTJNCSKN-UZLBHIALSA-N 1 0 440.614 0.873 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001618589076 1073434445 /nfs/dbraw/zinc/43/44/45/1073434445.db2.gz YWWDDMOZALWLMQ-ACTFIFLWSA-N 1 0 447.584 0.691 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001618589078 1073434431 /nfs/dbraw/zinc/43/44/31/1073434431.db2.gz YWWDDMOZALWLMQ-DBHNTLKXSA-N 1 0 447.584 0.691 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001618589080 1073434341 /nfs/dbraw/zinc/43/43/41/1073434341.db2.gz YWWDDMOZALWLMQ-DVSDUFGPSA-N 1 0 447.584 0.691 20 0 ICADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001618589082 1073434948 /nfs/dbraw/zinc/43/49/48/1073434948.db2.gz YWWDDMOZALWLMQ-MPWIWIEXSA-N 1 0 447.584 0.691 20 0 ICADRO CNC(=O)c1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001618604175 1073436221 /nfs/dbraw/zinc/43/62/21/1073436221.db2.gz UCYOGINUKZBWOC-JOCHJYFZSA-N 1 0 443.552 0.479 20 0 ICADRO CNC(=O)c1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001618604182 1073436168 /nfs/dbraw/zinc/43/61/68/1073436168.db2.gz UCYOGINUKZBWOC-QFIPXVFZSA-N 1 0 443.552 0.479 20 0 ICADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@H+](C)C1 ZINC001618606203 1073437934 /nfs/dbraw/zinc/43/79/34/1073437934.db2.gz FKYJSWDESVHUJM-CVEARBPZSA-N 1 0 440.566 0.737 20 0 ICADRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@H+](C)C1 ZINC001618606208 1073438061 /nfs/dbraw/zinc/43/80/61/1073438061.db2.gz FKYJSWDESVHUJM-HOTGVXAUSA-N 1 0 440.566 0.737 20 0 ICADRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@H+](C)C1 ZINC001618606210 1073437962 /nfs/dbraw/zinc/43/79/62/1073437962.db2.gz FKYJSWDESVHUJM-HZPDHXFCSA-N 1 0 440.566 0.737 20 0 ICADRO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@H+](C)C1 ZINC001618606211 1073438050 /nfs/dbraw/zinc/43/80/50/1073438050.db2.gz FKYJSWDESVHUJM-JKSUJKDBSA-N 1 0 440.566 0.737 20 0 ICADRO COC(=O)[C@@H]1CN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC[N@H+](C)C1 ZINC001618606682 1073437877 /nfs/dbraw/zinc/43/78/77/1073437877.db2.gz KZFRCPUZRRZOJQ-FQEVSTJZSA-N 1 0 430.549 0.302 20 0 ICADRO COC(=O)[C@H]1CN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC[N@H+](C)C1 ZINC001618606684 1073438021 /nfs/dbraw/zinc/43/80/21/1073438021.db2.gz KZFRCPUZRRZOJQ-HXUWFJFHSA-N 1 0 430.549 0.302 20 0 ICADRO 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CNC(=O)[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001618694217 1073464622 /nfs/dbraw/zinc/46/46/22/1073464622.db2.gz NZQGPKUSEZHBCQ-AEFFLSMTSA-N 1 0 444.540 0.187 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001618694219 1073464679 /nfs/dbraw/zinc/46/46/79/1073464679.db2.gz NZQGPKUSEZHBCQ-FUHWJXTLSA-N 1 0 444.540 0.187 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001618694221 1073464698 /nfs/dbraw/zinc/46/46/98/1073464698.db2.gz NZQGPKUSEZHBCQ-SJLPKXTDSA-N 1 0 444.540 0.187 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001618694222 1073464655 /nfs/dbraw/zinc/46/46/55/1073464655.db2.gz NZQGPKUSEZHBCQ-WMZOPIPTSA-N 1 0 444.540 0.187 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618694348 1073465342 /nfs/dbraw/zinc/46/53/42/1073465342.db2.gz STFJRXCNMZDWNE-JXFKEZNVSA-N 1 0 434.928 0.616 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618694349 1073465402 /nfs/dbraw/zinc/46/54/02/1073465402.db2.gz STFJRXCNMZDWNE-OXJNMPFZSA-N 1 0 434.928 0.616 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618694350 1073465421 /nfs/dbraw/zinc/46/54/21/1073465421.db2.gz STFJRXCNMZDWNE-OXQOHEQNSA-N 1 0 434.928 0.616 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618694351 1073465297 /nfs/dbraw/zinc/46/52/97/1073465297.db2.gz STFJRXCNMZDWNE-UZLBHIALSA-N 1 0 434.928 0.616 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(-c3cccn3C)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001618694439 1073465286 /nfs/dbraw/zinc/46/52/86/1073465286.db2.gz PODHTGSMLOLKJJ-GOSISDBHSA-N 1 0 431.541 0.347 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cccn3C)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001618694444 1073465264 /nfs/dbraw/zinc/46/52/64/1073465264.db2.gz PODHTGSMLOLKJJ-SFHVURJKSA-N 1 0 431.541 0.347 20 0 ICADRO 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CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001618709118 1073477646 /nfs/dbraw/zinc/47/76/46/1073477646.db2.gz INRBZGXBTLAZQL-QFBILLFUSA-N 1 0 444.584 0.823 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001618709119 1073477562 /nfs/dbraw/zinc/47/75/62/1073477562.db2.gz INRBZGXBTLAZQL-VQIMIIECSA-N 1 0 444.584 0.823 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001618709120 1073477621 /nfs/dbraw/zinc/47/76/21/1073477621.db2.gz IOISIJTXPNCDNV-GOSISDBHSA-N 1 0 428.541 0.353 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001618709121 1073477532 /nfs/dbraw/zinc/47/75/32/1073477532.db2.gz IOISIJTXPNCDNV-SFHVURJKSA-N 1 0 428.541 0.353 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001618709930 1073478808 /nfs/dbraw/zinc/47/88/08/1073478808.db2.gz OKDFGWIJJRNLOQ-GOSISDBHSA-N 1 0 449.600 0.861 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001618709933 1073478723 /nfs/dbraw/zinc/47/87/23/1073478723.db2.gz OKDFGWIJJRNLOQ-SFHVURJKSA-N 1 0 449.600 0.861 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618711050 1073480234 /nfs/dbraw/zinc/48/02/34/1073480234.db2.gz VSQAAJIBAALNCE-AVRDEDQJSA-N 1 0 444.536 0.183 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618711055 1073480874 /nfs/dbraw/zinc/48/08/74/1073480874.db2.gz VSQAAJIBAALNCE-GCJKJVERSA-N 1 0 444.536 0.183 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618711057 1073480923 /nfs/dbraw/zinc/48/09/23/1073480923.db2.gz VSQAAJIBAALNCE-PGRDOPGGSA-N 1 0 444.536 0.183 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001618711059 1073480914 /nfs/dbraw/zinc/48/09/14/1073480914.db2.gz VSQAAJIBAALNCE-XMSQKQJNSA-N 1 0 444.536 0.183 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001618711644 1073481553 /nfs/dbraw/zinc/48/15/53/1073481553.db2.gz ZHVZWACXFNVCIR-HNNXBMFYSA-N 1 0 449.581 0.561 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001618711646 1073481583 /nfs/dbraw/zinc/48/15/83/1073481583.db2.gz ZHVZWACXFNVCIR-OAHLLOKOSA-N 1 0 449.581 0.561 20 0 ICADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001618711705 1073481489 /nfs/dbraw/zinc/48/14/89/1073481489.db2.gz LPRGQCWBQNCSCW-IAGOWNOFSA-N 1 0 436.557 0.316 20 0 ICADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001618711706 1073481545 /nfs/dbraw/zinc/48/15/45/1073481545.db2.gz LPRGQCWBQNCSCW-SJORKVTESA-N 1 0 436.557 0.316 20 0 ICADRO CNC(=O)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001618717725 1073482207 /nfs/dbraw/zinc/48/22/07/1073482207.db2.gz KWXJDTWKTSZRTQ-KRWDZBQOSA-N 1 0 444.584 0.999 20 0 ICADRO CNC(=O)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001618717731 1073482223 /nfs/dbraw/zinc/48/22/23/1073482223.db2.gz KWXJDTWKTSZRTQ-QGZVFWFLSA-N 1 0 444.584 0.999 20 0 ICADRO CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001618725253 1073483640 /nfs/dbraw/zinc/48/36/40/1073483640.db2.gz VEZRCQQAJLBUDB-GDBMZVCRSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001618725254 1073483659 /nfs/dbraw/zinc/48/36/59/1073483659.db2.gz VEZRCQQAJLBUDB-GOEBONIOSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001618725255 1073483491 /nfs/dbraw/zinc/48/34/91/1073483491.db2.gz VEZRCQQAJLBUDB-HOCLYGCPSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001618725256 1073483441 /nfs/dbraw/zinc/48/34/41/1073483441.db2.gz VEZRCQQAJLBUDB-ZBFHGGJFSA-N 1 0 426.587 0.483 20 0 ICADRO CNC(=O)CCCN(C)c1nnc(C(=O)NC(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001618729486 1073484253 /nfs/dbraw/zinc/48/42/53/1073484253.db2.gz DKPCIZOIXONXCJ-UHFFFAOYSA-N 1 0 437.589 0.614 20 0 ICADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC001618735323 1073485632 /nfs/dbraw/zinc/48/56/32/1073485632.db2.gz XTZPWKSXKOTIDL-FQEVSTJZSA-N 1 0 437.562 0.771 20 0 ICADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC001618735324 1073485598 /nfs/dbraw/zinc/48/55/98/1073485598.db2.gz XTZPWKSXKOTIDL-HXUWFJFHSA-N 1 0 437.562 0.771 20 0 ICADRO O=C(NC1CC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CC1)N1CCOCC1 ZINC001618740966 1073486337 /nfs/dbraw/zinc/48/63/37/1073486337.db2.gz ODKDNKWTJPTDQD-UHFFFAOYSA-N 1 0 430.505 0.805 20 0 ICADRO CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001618743162 1073487011 /nfs/dbraw/zinc/48/70/11/1073487011.db2.gz VBXIQXTWKIZHBR-UHFFFAOYSA-N 1 0 429.573 0.724 20 0 ICADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001618746844 1073487435 /nfs/dbraw/zinc/48/74/35/1073487435.db2.gz NRHJGJUFWNADDW-UHFFFAOYSA-N 1 0 425.551 0.682 20 0 ICADRO CNC(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001618750723 1073488305 /nfs/dbraw/zinc/48/83/05/1073488305.db2.gz HGFPUIBFJNJLKE-KRWDZBQOSA-N 1 0 435.573 0.587 20 0 ICADRO CNC(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001618750733 1073489005 /nfs/dbraw/zinc/48/90/05/1073489005.db2.gz HGFPUIBFJNJLKE-QGZVFWFLSA-N 1 0 435.573 0.587 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001618753071 1073489707 /nfs/dbraw/zinc/48/97/07/1073489707.db2.gz NQIQGJAKAKVZIB-AXVVYFOYSA-N 1 0 429.583 0.011 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001618753074 1073489790 /nfs/dbraw/zinc/48/97/90/1073489790.db2.gz NQIQGJAKAKVZIB-MIALQEHNSA-N 1 0 429.583 0.011 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001618753075 1073489711 /nfs/dbraw/zinc/48/97/11/1073489711.db2.gz NQIQGJAKAKVZIB-TVKQPGBESA-N 1 0 429.583 0.011 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001618753076 1073489689 /nfs/dbraw/zinc/48/96/89/1073489689.db2.gz NQIQGJAKAKVZIB-WOCWXWTJSA-N 1 0 429.583 0.011 20 0 ICADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC001618753389 1073489733 /nfs/dbraw/zinc/48/97/33/1073489733.db2.gz TTYGCOCSPQENQN-FCHUYYIVSA-N 1 0 432.521 0.686 20 0 ICADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC001618753390 1073489755 /nfs/dbraw/zinc/48/97/55/1073489755.db2.gz TTYGCOCSPQENQN-FGZHOGPDSA-N 1 0 432.521 0.686 20 0 ICADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC001618753391 1073489685 /nfs/dbraw/zinc/48/96/85/1073489685.db2.gz TTYGCOCSPQENQN-VXKWHMMOSA-N 1 0 432.521 0.686 20 0 ICADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC001618753392 1073489717 /nfs/dbraw/zinc/48/97/17/1073489717.db2.gz TTYGCOCSPQENQN-YADHBBJMSA-N 1 0 432.521 0.686 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001618753624 1073489783 /nfs/dbraw/zinc/48/97/83/1073489783.db2.gz XRNAPESPPWJSKE-HRAATJIYSA-N 1 0 426.558 0.807 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001618753625 1073489721 /nfs/dbraw/zinc/48/97/21/1073489721.db2.gz XRNAPESPPWJSKE-IERDGZPVSA-N 1 0 426.558 0.807 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001618753626 1073489693 /nfs/dbraw/zinc/48/96/93/1073489693.db2.gz XRNAPESPPWJSKE-IIBYNOLFSA-N 1 0 426.558 0.807 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001618753627 1073489739 /nfs/dbraw/zinc/48/97/39/1073489739.db2.gz XRNAPESPPWJSKE-KKSFZXQISA-N 1 0 426.558 0.807 20 0 ICADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC001618753634 1073490352 /nfs/dbraw/zinc/49/03/52/1073490352.db2.gz XVCHYCICRKYCHK-INIZCTEOSA-N 1 0 434.356 0.643 20 0 ICADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC001618753635 1073490260 /nfs/dbraw/zinc/49/02/60/1073490260.db2.gz XVCHYCICRKYCHK-MRXNPFEDSA-N 1 0 434.356 0.643 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCSCC1 ZINC001618755075 1073490247 /nfs/dbraw/zinc/49/02/47/1073490247.db2.gz BVACVMXYWLURDH-FQEVSTJZSA-N 1 0 440.614 0.940 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCSCC1 ZINC001618755076 1073490284 /nfs/dbraw/zinc/49/02/84/1073490284.db2.gz BVACVMXYWLURDH-HXUWFJFHSA-N 1 0 440.614 0.940 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001618755870 1073490329 /nfs/dbraw/zinc/49/03/29/1073490329.db2.gz NFWKGSZVNDKLJY-CABCVRRESA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001618755872 1073491084 /nfs/dbraw/zinc/49/10/84/1073491084.db2.gz NFWKGSZVNDKLJY-GJZGRUSLSA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001618755874 1073491047 /nfs/dbraw/zinc/49/10/47/1073491047.db2.gz NFWKGSZVNDKLJY-HUUCEWRRSA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001618755876 1073491102 /nfs/dbraw/zinc/49/11/02/1073491102.db2.gz NFWKGSZVNDKLJY-LSDHHAIUSA-N 1 0 443.618 0.581 20 0 ICADRO CNC(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001618764028 1073492340 /nfs/dbraw/zinc/49/23/40/1073492340.db2.gz SVUDPQAZMNHSCS-KRWDZBQOSA-N 1 0 445.572 0.194 20 0 ICADRO CNC(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001618764030 1073492248 /nfs/dbraw/zinc/49/22/48/1073492248.db2.gz SVUDPQAZMNHSCS-QGZVFWFLSA-N 1 0 445.572 0.194 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001618771574 1073494322 /nfs/dbraw/zinc/49/43/22/1073494322.db2.gz PEFOACBUPFXBSF-PMACEKPBSA-N 1 0 442.564 0.969 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001618771586 1073494191 /nfs/dbraw/zinc/49/41/91/1073494191.db2.gz PEFOACBUPFXBSF-UXHICEINSA-N 1 0 442.564 0.969 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001618771588 1073494209 /nfs/dbraw/zinc/49/42/09/1073494209.db2.gz PEFOACBUPFXBSF-VQTJNVASSA-N 1 0 442.564 0.969 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001618771590 1073494337 /nfs/dbraw/zinc/49/43/37/1073494337.db2.gz PEFOACBUPFXBSF-WOJBJXKFSA-N 1 0 442.564 0.969 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001618772426 1073495499 /nfs/dbraw/zinc/49/54/99/1073495499.db2.gz ZOCZGRJWDVSHSC-HNNXBMFYSA-N 1 0 426.587 0.627 20 0 ICADRO CNC(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001618772427 1073495569 /nfs/dbraw/zinc/49/55/69/1073495569.db2.gz ZOCZGRJWDVSHSC-OAHLLOKOSA-N 1 0 426.587 0.627 20 0 ICADRO 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CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001618843151 1073524768 /nfs/dbraw/zinc/52/47/68/1073524768.db2.gz RUTWXNRHRBUJDD-HNNXBMFYSA-N 1 0 434.570 0.595 20 0 ICADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001618843152 1073524869 /nfs/dbraw/zinc/52/48/69/1073524869.db2.gz RUTWXNRHRBUJDD-OAHLLOKOSA-N 1 0 434.570 0.595 20 0 ICADRO CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001618843509 1073525885 /nfs/dbraw/zinc/52/58/85/1073525885.db2.gz CSIDANUOPZBEBH-UHFFFAOYSA-N 1 0 439.630 0.700 20 0 ICADRO CNS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001618843746 1073525837 /nfs/dbraw/zinc/52/58/37/1073525837.db2.gz JCHFZEGLXZFDQO-UHFFFAOYSA-N 1 0 447.609 0.963 20 0 ICADRO CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001618845281 1073529317 /nfs/dbraw/zinc/52/93/17/1073529317.db2.gz YAWLZBFAXWDAQG-HOTGVXAUSA-N 1 0 442.586 0.021 20 0 ICADRO CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001618845282 1073529217 /nfs/dbraw/zinc/52/92/17/1073529217.db2.gz YAWLZBFAXWDAQG-JKSUJKDBSA-N 1 0 442.586 0.021 20 0 ICADRO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001618845819 1073530448 /nfs/dbraw/zinc/53/04/48/1073530448.db2.gz QNRZWCIFWYBHJH-UHFFFAOYSA-N 1 0 433.582 0.878 20 0 ICADRO CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001618846133 1073530936 /nfs/dbraw/zinc/53/09/36/1073530936.db2.gz BFYWMVBLJSFWLW-UHFFFAOYSA-N 1 0 426.587 0.328 20 0 ICADRO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001618846491 1073531566 /nfs/dbraw/zinc/53/15/66/1073531566.db2.gz NOHWRKBLBRFUTA-GOSISDBHSA-N 1 0 440.614 0.719 20 0 ICADRO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001618846492 1073531588 /nfs/dbraw/zinc/53/15/88/1073531588.db2.gz NOHWRKBLBRFUTA-SFHVURJKSA-N 1 0 440.614 0.719 20 0 ICADRO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001618846845 1073531893 /nfs/dbraw/zinc/53/18/93/1073531893.db2.gz ZWZAYNLGSZULRZ-INIZCTEOSA-N 1 0 428.603 0.717 20 0 ICADRO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001618846846 1073532494 /nfs/dbraw/zinc/53/24/94/1073532494.db2.gz ZWZAYNLGSZULRZ-MRXNPFEDSA-N 1 0 428.603 0.717 20 0 ICADRO CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001618847478 1073533025 /nfs/dbraw/zinc/53/30/25/1073533025.db2.gz VPHHLDMDEHQPNF-KRWDZBQOSA-N 1 0 436.586 0.363 20 0 ICADRO CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001618847479 1073533173 /nfs/dbraw/zinc/53/31/73/1073533173.db2.gz VPHHLDMDEHQPNF-QGZVFWFLSA-N 1 0 436.586 0.363 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618848731 1073534674 /nfs/dbraw/zinc/53/46/74/1073534674.db2.gz FERFGDDWGQUERA-CVEARBPZSA-N 1 0 442.586 0.764 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618848732 1073534767 /nfs/dbraw/zinc/53/47/67/1073534767.db2.gz FERFGDDWGQUERA-HOTGVXAUSA-N 1 0 442.586 0.764 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618848733 1073534941 /nfs/dbraw/zinc/53/49/41/1073534941.db2.gz FERFGDDWGQUERA-HZPDHXFCSA-N 1 0 442.586 0.764 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)C1 ZINC001618848734 1073534929 /nfs/dbraw/zinc/53/49/29/1073534929.db2.gz FERFGDDWGQUERA-JKSUJKDBSA-N 1 0 442.586 0.764 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001618848945 1073535284 /nfs/dbraw/zinc/53/52/84/1073535284.db2.gz IKKAUCUOHUZTEX-INIZCTEOSA-N 1 0 445.524 0.893 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001618848946 1073535347 /nfs/dbraw/zinc/53/53/47/1073535347.db2.gz IKKAUCUOHUZTEX-MRXNPFEDSA-N 1 0 445.524 0.893 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001618848961 1073535428 /nfs/dbraw/zinc/53/54/28/1073535428.db2.gz IMKQBMYMUMTUDE-INIZCTEOSA-N 1 0 436.557 0.917 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001618848962 1073535403 /nfs/dbraw/zinc/53/54/03/1073535403.db2.gz IMKQBMYMUMTUDE-MRXNPFEDSA-N 1 0 436.557 0.917 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001618849379 1073535291 /nfs/dbraw/zinc/53/52/91/1073535291.db2.gz OEQJGIAQGGFCHB-QLFBSQMISA-N 1 0 442.586 0.760 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001618849380 1073535255 /nfs/dbraw/zinc/53/52/55/1073535255.db2.gz OEQJGIAQGGFCHB-RBSFLKMASA-N 1 0 442.586 0.760 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001618849381 1073535384 /nfs/dbraw/zinc/53/53/84/1073535384.db2.gz OEQJGIAQGGFCHB-RRFJBIMHSA-N 1 0 442.586 0.760 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001618849382 1073535682 /nfs/dbraw/zinc/53/56/82/1073535682.db2.gz OEQJGIAQGGFCHB-SOUVJXGZSA-N 1 0 442.586 0.760 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+](C)C)C1 ZINC001618850135 1073535713 /nfs/dbraw/zinc/53/57/13/1073535713.db2.gz WBOONTRWLTYUOT-CABCVRRESA-N 1 0 444.602 0.866 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+](C)C)C1 ZINC001618850137 1073535944 /nfs/dbraw/zinc/53/59/44/1073535944.db2.gz WBOONTRWLTYUOT-GJZGRUSLSA-N 1 0 444.602 0.866 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+](C)C)C1 ZINC001618850139 1073535843 /nfs/dbraw/zinc/53/58/43/1073535843.db2.gz WBOONTRWLTYUOT-HUUCEWRRSA-N 1 0 444.602 0.866 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+](C)C)C1 ZINC001618850141 1073535758 /nfs/dbraw/zinc/53/57/58/1073535758.db2.gz WBOONTRWLTYUOT-LSDHHAIUSA-N 1 0 444.602 0.866 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001618857816 1073536953 /nfs/dbraw/zinc/53/69/53/1073536953.db2.gz DIEKNYKWEVYTDS-MSOLQXFVSA-N 1 0 448.568 0.637 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001618857817 1073537131 /nfs/dbraw/zinc/53/71/31/1073537131.db2.gz DIEKNYKWEVYTDS-QZTJIDSGSA-N 1 0 448.568 0.637 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001618857818 1073536804 /nfs/dbraw/zinc/53/68/04/1073536804.db2.gz DIEKNYKWEVYTDS-ROUUACIJSA-N 1 0 448.568 0.637 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001618857819 1073537029 /nfs/dbraw/zinc/53/70/29/1073537029.db2.gz DIEKNYKWEVYTDS-ZWKOTPCHSA-N 1 0 448.568 0.637 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001618858496 1073536895 /nfs/dbraw/zinc/53/68/95/1073536895.db2.gz LJBLURPJYCUAIC-DYESRHJHSA-N 1 0 431.541 0.596 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001618858497 1073537162 /nfs/dbraw/zinc/53/71/62/1073537162.db2.gz LJBLURPJYCUAIC-LAUBAEHRSA-N 1 0 431.541 0.596 20 0 ICADRO COC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001618858498 1073536855 /nfs/dbraw/zinc/53/68/55/1073536855.db2.gz LJBLURPJYCUAIC-UTKZUKDTSA-N 1 0 431.541 0.596 20 0 ICADRO COC(=O)[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001618858499 1073537010 /nfs/dbraw/zinc/53/70/10/1073537010.db2.gz LJBLURPJYCUAIC-UWJYYQICSA-N 1 0 431.541 0.596 20 0 ICADRO COC(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001618861187 1073537698 /nfs/dbraw/zinc/53/76/98/1073537698.db2.gz QNJQMAWMWZFTSD-INIZCTEOSA-N 1 0 435.573 0.442 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001618861190 1073537640 /nfs/dbraw/zinc/53/76/40/1073537640.db2.gz QNJQMAWMWZFTSD-MRXNPFEDSA-N 1 0 435.573 0.442 20 0 ICADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001618869879 1073539202 /nfs/dbraw/zinc/53/92/02/1073539202.db2.gz JUWZHMZRANRDIE-QUCCMNQESA-N 1 0 435.546 0.833 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001618875120 1073540366 /nfs/dbraw/zinc/54/03/66/1073540366.db2.gz CTDDQXNIJDVSME-ARFHVFGLSA-N 1 0 425.555 0.664 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001618875121 1073540167 /nfs/dbraw/zinc/54/01/67/1073540167.db2.gz CTDDQXNIJDVSME-BZUAXINKSA-N 1 0 425.555 0.664 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001618875122 1073540292 /nfs/dbraw/zinc/54/02/92/1073540292.db2.gz CTDDQXNIJDVSME-OAGGEKHMSA-N 1 0 425.555 0.664 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001618875123 1073540424 /nfs/dbraw/zinc/54/04/24/1073540424.db2.gz CTDDQXNIJDVSME-XHSDSOJGSA-N 1 0 425.555 0.664 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001618875909 1073540780 /nfs/dbraw/zinc/54/07/80/1073540780.db2.gz RGGNSJMSXDDOIE-KFWWJZLASA-N 1 0 425.555 0.662 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001618875910 1073541146 /nfs/dbraw/zinc/54/11/46/1073541146.db2.gz RGGNSJMSXDDOIE-RBSFLKMASA-N 1 0 425.555 0.662 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001618875911 1073541283 /nfs/dbraw/zinc/54/12/83/1073541283.db2.gz RGGNSJMSXDDOIE-RRFJBIMHSA-N 1 0 425.555 0.662 20 0 ICADRO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001618875912 1073541380 /nfs/dbraw/zinc/54/13/80/1073541380.db2.gz RGGNSJMSXDDOIE-ZNMIVQPWSA-N 1 0 425.555 0.662 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)C(C)C)C[C@H]1O ZINC001618882961 1073543215 /nfs/dbraw/zinc/54/32/15/1073543215.db2.gz DFMBMUMSNHXWOT-IAGOWNOFSA-N 1 0 436.557 0.605 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)C[C@H]1O ZINC001618882970 1073543286 /nfs/dbraw/zinc/54/32/86/1073543286.db2.gz DHTAACKQRPIXPT-HZPDHXFCSA-N 1 0 436.557 0.462 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1O ZINC001618883091 1073543109 /nfs/dbraw/zinc/54/31/09/1073543109.db2.gz IZUBCYMBXGEEHO-BRWVUGGUSA-N 1 0 434.541 0.215 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1O ZINC001618883092 1073543181 /nfs/dbraw/zinc/54/31/81/1073543181.db2.gz IZUBCYMBXGEEHO-IXDOHACOSA-N 1 0 434.541 0.215 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC2)C[C@H]1O ZINC001618883389 1073543771 /nfs/dbraw/zinc/54/37/71/1073543771.db2.gz RATGPVPGXXKNFE-HZPDHXFCSA-N 1 0 443.508 0.381 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCC2)C[C@H]1O ZINC001618883596 1073543892 /nfs/dbraw/zinc/54/38/92/1073543892.db2.gz XSLJRZLZEQQTAH-IAGOWNOFSA-N 1 0 434.541 0.360 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1O ZINC001618884709 1073544604 /nfs/dbraw/zinc/54/46/04/1073544604.db2.gz LRTKYELALLURAC-JLDZCNIISA-N 1 0 445.520 0.381 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1O ZINC001618884710 1073544572 /nfs/dbraw/zinc/54/45/72/1073544572.db2.gz LRTKYELALLURAC-ZDPZECHZSA-N 1 0 445.520 0.381 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001618885184 1073545288 /nfs/dbraw/zinc/54/52/88/1073545288.db2.gz GCUJWDZLBBEMSY-BRWVUGGUSA-N 1 0 448.568 0.854 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001618885185 1073545101 /nfs/dbraw/zinc/54/51/01/1073545101.db2.gz GCUJWDZLBBEMSY-IXDOHACOSA-N 1 0 448.568 0.854 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)C[C@H]1O ZINC001618885199 1073545172 /nfs/dbraw/zinc/54/51/72/1073545172.db2.gz GOCAMZNKORBVAP-SJLPKXTDSA-N 1 0 429.525 0.971 20 0 ICADRO COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCOCC[NH+](C)C)C[C@H]1O ZINC001618885277 1073545240 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COc1ccc(CCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001619233084 1073576096 /nfs/dbraw/zinc/57/60/96/1073576096.db2.gz FZHFKUBODOEQIC-DHIUTWEWSA-N 1 0 442.564 0.840 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001619233085 1073576312 /nfs/dbraw/zinc/57/63/12/1073576312.db2.gz FZHFKUBODOEQIC-GOTSBHOMSA-N 1 0 442.564 0.840 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001619233086 1073576206 /nfs/dbraw/zinc/57/62/06/1073576206.db2.gz FZHFKUBODOEQIC-PKTZIBPZSA-N 1 0 442.564 0.840 20 0 ICADRO COc1ccc(CCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001619233087 1073576030 /nfs/dbraw/zinc/57/60/30/1073576030.db2.gz FZHFKUBODOEQIC-XZOQPEGZSA-N 1 0 442.564 0.840 20 0 ICADRO COc1ccc(CCc2nnc(N3CCNC(=O)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001619239232 1073576700 /nfs/dbraw/zinc/57/67/00/1073576700.db2.gz XXVIQACBGMTYLI-GOSISDBHSA-N 1 0 442.564 0.976 20 0 ICADRO COc1ccc(CCc2nnc(N3CCNC(=O)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001619239233 1073576533 /nfs/dbraw/zinc/57/65/33/1073576533.db2.gz XXVIQACBGMTYLI-SFHVURJKSA-N 1 0 442.564 0.976 20 0 ICADRO COc1ccc(CCc2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001619240869 1073576629 /nfs/dbraw/zinc/57/66/29/1073576629.db2.gz PDIZBYMBXCJUFR-NRFANRHFSA-N 1 0 433.578 0.707 20 0 ICADRO COc1ccc(CCc2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001619240870 1073576573 /nfs/dbraw/zinc/57/65/73/1073576573.db2.gz PDIZBYMBXCJUFR-OAQYLSRUSA-N 1 0 433.578 0.707 20 0 ICADRO COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)cc1O ZINC001619266268 1073577300 /nfs/dbraw/zinc/57/73/00/1073577300.db2.gz TWXKEVKKUMDYQK-JOCHJYFZSA-N 1 0 444.536 0.818 20 0 ICADRO COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)cc1O ZINC001619266269 1073577183 /nfs/dbraw/zinc/57/71/83/1073577183.db2.gz TWXKEVKKUMDYQK-QFIPXVFZSA-N 1 0 444.536 0.818 20 0 ICADRO CN(CC[NH+]1CCCCC1)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001619309182 1073580633 /nfs/dbraw/zinc/58/06/33/1073580633.db2.gz ZUDUKEUMOGEDOJ-UHFFFAOYSA-N 1 0 438.594 0.741 20 0 ICADRO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001619315562 1073580568 /nfs/dbraw/zinc/58/05/68/1073580568.db2.gz MYLUHTQXVHRXFR-AOMKIAJQSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001619315563 1073580752 /nfs/dbraw/zinc/58/07/52/1073580752.db2.gz MYLUHTQXVHRXFR-KSFYIVLOSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001619315564 1073580722 /nfs/dbraw/zinc/58/07/22/1073580722.db2.gz MYLUHTQXVHRXFR-OPAMFIHVSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001619315565 1073581310 /nfs/dbraw/zinc/58/13/10/1073581310.db2.gz MYLUHTQXVHRXFR-ZHRRBRCNSA-N 1 0 444.536 0.599 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001619321736 1073581329 /nfs/dbraw/zinc/58/13/29/1073581329.db2.gz ZETXCCAPXFSDLZ-NRFANRHFSA-N 1 0 430.509 0.211 20 0 ICADRO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001619321737 1073581186 /nfs/dbraw/zinc/58/11/86/1073581186.db2.gz ZETXCCAPXFSDLZ-OAQYLSRUSA-N 1 0 430.509 0.211 20 0 ICADRO COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001619322005 1073581289 /nfs/dbraw/zinc/58/12/89/1073581289.db2.gz DHXKTOXVUUHEQM-UHFFFAOYSA-N 1 0 444.536 0.914 20 0 ICADRO COc1cccc(CC(=O)N2CCN(c3nnc(C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC001619360923 1073583563 /nfs/dbraw/zinc/58/35/63/1073583563.db2.gz PYCCALHPWVRBNS-JOCHJYFZSA-N 1 0 428.537 0.553 20 0 ICADRO COc1cccc(CC(=O)N2CCN(c3nnc(C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC001619360924 1073583536 /nfs/dbraw/zinc/58/35/36/1073583536.db2.gz PYCCALHPWVRBNS-QFIPXVFZSA-N 1 0 428.537 0.553 20 0 ICADRO COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001619391612 1073585001 /nfs/dbraw/zinc/58/50/01/1073585001.db2.gz IOVOXRUXBWGPJP-JOCHJYFZSA-N 1 0 444.536 0.491 20 0 ICADRO COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001619391613 1073585113 /nfs/dbraw/zinc/58/51/13/1073585113.db2.gz IOVOXRUXBWGPJP-QFIPXVFZSA-N 1 0 444.536 0.491 20 0 ICADRO COc1ccccc1Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CCNS(C)(=O)=O ZINC001619422504 1073587074 /nfs/dbraw/zinc/58/70/74/1073587074.db2.gz WVTMOOGPJULARF-UHFFFAOYSA-N 1 0 436.582 0.957 20 0 ICADRO COc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001619423045 1073587180 /nfs/dbraw/zinc/58/71/80/1073587180.db2.gz MDIFSIZZLQSDMQ-GOSISDBHSA-N 1 0 428.537 0.661 20 0 ICADRO COc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001619423046 1073587237 /nfs/dbraw/zinc/58/72/37/1073587237.db2.gz MDIFSIZZLQSDMQ-SFHVURJKSA-N 1 0 428.537 0.661 20 0 ICADRO COc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001619423748 1073587032 /nfs/dbraw/zinc/58/70/32/1073587032.db2.gz WUUCDXILEJBOMF-UHFFFAOYSA-N 1 0 428.537 0.926 20 0 ICADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462906 1073588969 /nfs/dbraw/zinc/58/89/69/1073588969.db2.gz NNEMZTSLNYCALW-DOMZBBRYSA-N 1 0 429.505 0.988 20 0 ICADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462907 1073588814 /nfs/dbraw/zinc/58/88/14/1073588814.db2.gz NNEMZTSLNYCALW-IUODEOHRSA-N 1 0 429.505 0.988 20 0 ICADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462908 1073588897 /nfs/dbraw/zinc/58/88/97/1073588897.db2.gz NNEMZTSLNYCALW-SWLSCSKDSA-N 1 0 429.505 0.988 20 0 ICADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462909 1073588730 /nfs/dbraw/zinc/58/87/30/1073588730.db2.gz NNEMZTSLNYCALW-WFASDCNBSA-N 1 0 429.505 0.988 20 0 ICADRO COc1ccccc1SCc1nnc(N2CCNC(=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001619466127 1073588947 /nfs/dbraw/zinc/58/89/47/1073588947.db2.gz OQHYWAPNNHEVAU-NRFANRHFSA-N 1 0 446.577 0.972 20 0 ICADRO COc1ccccc1SCc1nnc(N2CCNC(=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001619466128 1073588693 /nfs/dbraw/zinc/58/86/93/1073588693.db2.gz OQHYWAPNNHEVAU-OAQYLSRUSA-N 1 0 446.577 0.972 20 0 ICADRO COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001619474110 1073590129 /nfs/dbraw/zinc/59/01/29/1073590129.db2.gz QSNZOTVLHBIIEH-HNNXBMFYSA-N 1 0 437.570 0.871 20 0 ICADRO COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001619474111 1073590217 /nfs/dbraw/zinc/59/02/17/1073590217.db2.gz QSNZOTVLHBIIEH-OAHLLOKOSA-N 1 0 437.570 0.871 20 0 ICADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001619494033 1073592129 /nfs/dbraw/zinc/59/21/29/1073592129.db2.gz BDEKAIXOKMHBJQ-BRWVUGGUSA-N 1 0 444.602 0.350 20 0 ICADRO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001619494034 1073592091 /nfs/dbraw/zinc/59/20/91/1073592091.db2.gz BDEKAIXOKMHBJQ-GVDBMIGSSA-N 1 0 444.602 0.350 20 0 ICADRO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001619494035 1073592833 /nfs/dbraw/zinc/59/28/33/1073592833.db2.gz BDEKAIXOKMHBJQ-IXDOHACOSA-N 1 0 444.602 0.350 20 0 ICADRO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001619494036 1073592732 /nfs/dbraw/zinc/59/27/32/1073592732.db2.gz BDEKAIXOKMHBJQ-YESZJQIVSA-N 1 0 444.602 0.350 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001619505339 1073594008 /nfs/dbraw/zinc/59/40/08/1073594008.db2.gz KNANVKKKHXBYAW-HNNXBMFYSA-N 1 0 444.602 0.614 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001619505340 1073593932 /nfs/dbraw/zinc/59/39/32/1073593932.db2.gz KNANVKKKHXBYAW-OAHLLOKOSA-N 1 0 444.602 0.614 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCNC(=O)CC2)CC1 ZINC001619506053 1073594018 /nfs/dbraw/zinc/59/40/18/1073594018.db2.gz JKUYUDZKBLFLEC-UHFFFAOYSA-N 1 0 428.541 0.951 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001619506643 1073593849 /nfs/dbraw/zinc/59/38/49/1073593849.db2.gz XGVIYWQLPKQMLV-UHFFFAOYSA-N 1 0 449.600 0.649 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)CC1 ZINC001619506859 1073593949 /nfs/dbraw/zinc/59/39/49/1073593949.db2.gz FBTNXSQCDSYVIW-INIZCTEOSA-N 1 0 433.557 0.445 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)CC1 ZINC001619506860 1073593878 /nfs/dbraw/zinc/59/38/78/1073593878.db2.gz FBTNXSQCDSYVIW-MRXNPFEDSA-N 1 0 433.557 0.445 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001619507018 1073593943 /nfs/dbraw/zinc/59/39/43/1073593943.db2.gz JYVHUHCMCYFBQF-DOTOQJQBSA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001619507019 1073593817 /nfs/dbraw/zinc/59/38/17/1073593817.db2.gz JYVHUHCMCYFBQF-NVXWUHKLSA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001619507020 1073593964 /nfs/dbraw/zinc/59/39/64/1073593964.db2.gz JYVHUHCMCYFBQF-RDJZCZTQSA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001619507021 1073593863 /nfs/dbraw/zinc/59/38/63/1073593863.db2.gz JYVHUHCMCYFBQF-WBVHZDCISA-N 1 0 447.584 0.786 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001619507967 1073593889 /nfs/dbraw/zinc/59/38/89/1073593889.db2.gz YKXBGQGXVDHRMO-GDBMZVCRSA-N 1 0 433.557 0.430 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001619507971 1073593997 /nfs/dbraw/zinc/59/39/97/1073593997.db2.gz YKXBGQGXVDHRMO-GOEBONIOSA-N 1 0 433.557 0.430 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001619507972 1073593975 /nfs/dbraw/zinc/59/39/75/1073593975.db2.gz YKXBGQGXVDHRMO-HOCLYGCPSA-N 1 0 433.557 0.430 20 0 ICADRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001619507974 1073593831 /nfs/dbraw/zinc/59/38/31/1073593831.db2.gz YKXBGQGXVDHRMO-ZBFHGGJFSA-N 1 0 433.557 0.430 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001619548734 1073598425 /nfs/dbraw/zinc/59/84/25/1073598425.db2.gz JBJUYILCSVPKGD-GOSISDBHSA-N 1 0 443.552 0.603 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001619548735 1073598319 /nfs/dbraw/zinc/59/83/19/1073598319.db2.gz JBJUYILCSVPKGD-SFHVURJKSA-N 1 0 443.552 0.603 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001619548759 1073598445 /nfs/dbraw/zinc/59/84/45/1073598445.db2.gz JRRBPHPNOVQJPT-KRWDZBQOSA-N 1 0 430.557 0.706 20 0 ICADRO COCC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001619548761 1073598450 /nfs/dbraw/zinc/59/84/50/1073598450.db2.gz JRRBPHPNOVQJPT-QGZVFWFLSA-N 1 0 430.557 0.706 20 0 ICADRO 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1072657396 /nfs/dbraw/zinc/65/73/96/1072657396.db2.gz IMNBCCNYSHJIJE-MQVJKMGUSA-N 1 0 426.587 0.273 20 0 ICADRO Cn1ncc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)c1I ZINC001622593506 1073041403 /nfs/dbraw/zinc/04/14/03/1073041403.db2.gz JDRDDZUGMYZTNJ-UHFFFAOYSA-N 1 0 428.296 0.102 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001626178259 1072657997 /nfs/dbraw/zinc/65/79/97/1072657997.db2.gz DZLCMUABWXOWAH-KRWDZBQOSA-N 1 0 434.537 0.851 20 0 ICADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001626178261 1072657988 /nfs/dbraw/zinc/65/79/88/1072657988.db2.gz DZLCMUABWXOWAH-QGZVFWFLSA-N 1 0 434.537 0.851 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001626188534 1072658509 /nfs/dbraw/zinc/65/85/09/1072658509.db2.gz CIJBXRGASGIOND-AWEZNQCLSA-N 1 0 436.500 0.784 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001626188535 1072658580 /nfs/dbraw/zinc/65/85/80/1072658580.db2.gz CIJBXRGASGIOND-CQSZACIVSA-N 1 0 436.500 0.784 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC001626188623 1072659115 /nfs/dbraw/zinc/65/91/15/1072659115.db2.gz FMNTVWWYCXSLKW-UHFFFAOYSA-N 1 0 425.917 0.711 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC001626189029 1072659244 /nfs/dbraw/zinc/65/92/44/1072659244.db2.gz NYIWOBFEMZDWPR-KRWDZBQOSA-N 1 0 428.327 0.732 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](O)c1cccc(Br)c1 ZINC001626189030 1072659230 /nfs/dbraw/zinc/65/92/30/1072659230.db2.gz NYIWOBFEMZDWPR-QGZVFWFLSA-N 1 0 428.327 0.732 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cn2ncnc12 ZINC001626189072 1072659277 /nfs/dbraw/zinc/65/92/77/1072659277.db2.gz OSNZOPJXCKQYMN-UHFFFAOYSA-N 1 0 439.314 0.354 20 0 ICADRO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001626189346 1072659209 /nfs/dbraw/zinc/65/92/09/1072659209.db2.gz QAWTUCNNNAYPSW-INIZCTEOSA-N 1 0 430.546 0.165 20 0 ICADRO COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001626189347 1072659288 /nfs/dbraw/zinc/65/92/88/1072659288.db2.gz QAWTUCNNNAYPSW-MRXNPFEDSA-N 1 0 430.546 0.165 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccccc1OC(F)F ZINC001626189354 1072659296 /nfs/dbraw/zinc/65/92/96/1072659296.db2.gz QGJXBRTYPRJENZ-UHFFFAOYSA-N 1 0 442.463 0.267 20 0 ICADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)/C=C/C(=O)NCc1ccc(OC)cc1 ZINC001626190355 1072659761 /nfs/dbraw/zinc/65/97/61/1072659761.db2.gz ZIUKOVSXLMDMAZ-CMDGGOBGSA-N 1 0 432.521 0.117 20 0 ICADRO NC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1=O ZINC001626205526 1072725633 /nfs/dbraw/zinc/72/56/33/1072725633.db2.gz MHLWKBCDPHJDTG-IAGOWNOFSA-N 1 0 427.530 0.515 20 0 ICADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001626212404 1072865593 /nfs/dbraw/zinc/86/55/93/1072865593.db2.gz ODJYIKCOWAYBDL-UHFFFAOYSA-N 1 0 425.511 0.327 20 0 ICADRO COCCn1cc(N2C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC2=O)cn1 ZINC001626212614 1072877653 /nfs/dbraw/zinc/87/76/53/1072877653.db2.gz VHGDMBPEQSLWRS-INIZCTEOSA-N 1 0 437.541 0.614 20 0 ICADRO COCCn1cc(N2C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC2=O)cn1 ZINC001626212615 1072877812 /nfs/dbraw/zinc/87/78/12/1072877812.db2.gz VHGDMBPEQSLWRS-MRXNPFEDSA-N 1 0 437.541 0.614 20 0 ICADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1 ZINC001626215946 1073055518 /nfs/dbraw/zinc/05/55/18/1073055518.db2.gz DOMZNVOZRARYEX-HNNXBMFYSA-N 1 0 443.566 0.691 20 0 ICADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1 ZINC001626215947 1073055609 /nfs/dbraw/zinc/05/56/09/1073055609.db2.gz DOMZNVOZRARYEX-OAHLLOKOSA-N 1 0 443.566 0.691 20 0 ICADRO