smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cc2n1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164440074 718991040 /nfs/dbraw/zinc/99/10/40/718991040.db2.gz INSNDIUXUVLYAY-QGZVFWFLSA-N 2 2 426.565 2.406 20 0 IEADLP Cc1[nH+]cc2n1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164440074 718991042 /nfs/dbraw/zinc/99/10/42/718991042.db2.gz INSNDIUXUVLYAY-QGZVFWFLSA-N 2 2 426.565 2.406 20 0 IEADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164711557 720097727 /nfs/dbraw/zinc/09/77/27/720097727.db2.gz QSCYRIYFYKHQGP-NRFANRHFSA-N 2 2 438.576 2.216 20 0 IEADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164711557 720097736 /nfs/dbraw/zinc/09/77/36/720097736.db2.gz QSCYRIYFYKHQGP-NRFANRHFSA-N 2 2 438.576 2.216 20 0 IEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812973 720163128 /nfs/dbraw/zinc/16/31/28/720163128.db2.gz BCHVPIKTEXDQMD-GBXCKJPGSA-N 2 2 441.624 2.257 20 0 IEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812973 720163140 /nfs/dbraw/zinc/16/31/40/720163140.db2.gz BCHVPIKTEXDQMD-GBXCKJPGSA-N 2 2 441.624 2.257 20 0 IEADLP CCOC(=O)c1c(C)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]c1C ZINC001164716590 720187396 /nfs/dbraw/zinc/18/73/96/720187396.db2.gz IKVZCCPOIHAKSO-IBGZPJMESA-N 2 2 442.564 2.220 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@@H]4C3)[nH+]2)CC1 ZINC001164835700 720501345 /nfs/dbraw/zinc/50/13/45/720501345.db2.gz ZWGCNMQBMDBTEX-PWRODBHTSA-N 2 2 427.593 2.077 20 0 IEADLP COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856508 720839343 /nfs/dbraw/zinc/83/93/43/720839343.db2.gz WSABZWAPPGBEOP-URXFXBBRSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856508 720839345 /nfs/dbraw/zinc/83/93/45/720839345.db2.gz WSABZWAPPGBEOP-URXFXBBRSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856508 720839347 /nfs/dbraw/zinc/83/93/47/720839347.db2.gz WSABZWAPPGBEOP-URXFXBBRSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856508 720839348 /nfs/dbraw/zinc/83/93/48/720839348.db2.gz WSABZWAPPGBEOP-URXFXBBRSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856513 720839597 /nfs/dbraw/zinc/83/95/97/720839597.db2.gz WSABZWAPPGBEOP-ZJSXRUAMSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856513 720839601 /nfs/dbraw/zinc/83/96/01/720839601.db2.gz WSABZWAPPGBEOP-ZJSXRUAMSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856513 720839603 /nfs/dbraw/zinc/83/96/03/720839603.db2.gz WSABZWAPPGBEOP-ZJSXRUAMSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856513 720839604 /nfs/dbraw/zinc/83/96/04/720839604.db2.gz WSABZWAPPGBEOP-ZJSXRUAMSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@@H]2C1 ZINC001164854291 720886235 /nfs/dbraw/zinc/88/62/35/720886235.db2.gz DSTZEAYNRYOFTA-IRLDBZIGSA-N 2 2 441.576 2.295 20 0 IEADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@@H]2C1 ZINC001164854291 720886238 /nfs/dbraw/zinc/88/62/38/720886238.db2.gz DSTZEAYNRYOFTA-IRLDBZIGSA-N 2 2 441.576 2.295 20 0 IEADLP COc1cc2[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)ccc2c(OC)c1 ZINC001164875713 721290953 /nfs/dbraw/zinc/29/09/53/721290953.db2.gz GDOAZEVFODRDEO-UHFFFAOYSA-N 2 2 442.560 2.259 20 0 IEADLP COc1cc2[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)ccc2c(OC)c1 ZINC001164875713 721290958 /nfs/dbraw/zinc/29/09/58/721290958.db2.gz GDOAZEVFODRDEO-UHFFFAOYSA-N 2 2 442.560 2.259 20 0 IEADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3NC(=O)CO4)C2)C1 ZINC001164779127 721351533 /nfs/dbraw/zinc/35/15/33/721351533.db2.gz RJJBMYIRCRKOBR-QFIPXVFZSA-N 2 2 427.505 2.136 20 0 IEADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3NC(=O)CO4)C2)C1 ZINC001164779127 721351534 /nfs/dbraw/zinc/35/15/34/721351534.db2.gz RJJBMYIRCRKOBR-QFIPXVFZSA-N 2 2 427.505 2.136 20 0 IEADLP CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802920 721566421 /nfs/dbraw/zinc/56/64/21/721566421.db2.gz ITNRRPJFHYQGJM-FUDKSRODSA-N 2 2 438.576 2.139 20 0 IEADLP CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802920 721566424 /nfs/dbraw/zinc/56/64/24/721566424.db2.gz ITNRRPJFHYQGJM-FUDKSRODSA-N 2 2 438.576 2.139 20 0 IEADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164945598 721981642 /nfs/dbraw/zinc/98/16/42/721981642.db2.gz BAQZAQVJANRYPJ-UHFFFAOYSA-N 2 2 449.599 2.431 20 0 IEADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164945598 721981644 /nfs/dbraw/zinc/98/16/44/721981644.db2.gz BAQZAQVJANRYPJ-UHFFFAOYSA-N 2 2 449.599 2.431 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH+]2)CC1 ZINC001164964186 722057809 /nfs/dbraw/zinc/05/78/09/722057809.db2.gz SSLAUFDXZYCRLY-UHFFFAOYSA-N 3 2 436.604 2.347 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)[nH+]2)CC1 ZINC001164964186 722057811 /nfs/dbraw/zinc/05/78/11/722057811.db2.gz SSLAUFDXZYCRLY-UHFFFAOYSA-N 3 2 436.604 2.347 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981768 722106769 /nfs/dbraw/zinc/10/67/69/722106769.db2.gz MGLIOXHAFIZIRK-MJGOQNOKSA-N 2 2 436.516 2.257 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981768 722106772 /nfs/dbraw/zinc/10/67/72/722106772.db2.gz MGLIOXHAFIZIRK-MJGOQNOKSA-N 2 2 436.516 2.257 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981762 722106775 /nfs/dbraw/zinc/10/67/75/722106775.db2.gz MGLIOXHAFIZIRK-HKUYNNGSSA-N 2 2 436.516 2.257 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981762 722106777 /nfs/dbraw/zinc/10/67/77/722106777.db2.gz MGLIOXHAFIZIRK-HKUYNNGSSA-N 2 2 436.516 2.257 20 0 IEADLP Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]32)cs1 ZINC001164988564 722183924 /nfs/dbraw/zinc/18/39/24/722183924.db2.gz KLWHCRCCFQKMIO-NHCUHLMSSA-N 2 2 442.633 2.468 20 0 IEADLP Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CC[C@H]32)cs1 ZINC001164987401 722184332 /nfs/dbraw/zinc/18/43/32/722184332.db2.gz HQROLNJHVDESTR-NHCUHLMSSA-N 2 2 428.606 2.126 20 0 IEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811051 720145716 /nfs/dbraw/zinc/14/57/16/720145716.db2.gz KQFKNPUEEFNXHA-RDPSFJRHSA-N 2 2 443.592 2.051 20 0 IEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811051 720145723 /nfs/dbraw/zinc/14/57/23/720145723.db2.gz KQFKNPUEEFNXHA-RDPSFJRHSA-N 2 2 443.592 2.051 20 0 IEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811049 720146300 /nfs/dbraw/zinc/14/63/00/720146300.db2.gz KQFKNPUEEFNXHA-GBXCKJPGSA-N 2 2 443.592 2.051 20 0 IEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811049 720146313 /nfs/dbraw/zinc/14/63/13/720146313.db2.gz KQFKNPUEEFNXHA-GBXCKJPGSA-N 2 2 443.592 2.051 20 0 IEADLP Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cs1 ZINC001164816638 720255552 /nfs/dbraw/zinc/25/55/52/720255552.db2.gz LABJHZDVGVHSGE-RBUKOAKNSA-N 2 2 426.590 2.368 20 0 IEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164718693 720259394 /nfs/dbraw/zinc/25/93/94/720259394.db2.gz HBXACXWZUUMJAH-VWLOTQADSA-N 2 2 448.571 2.144 20 0 IEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164718693 720259396 /nfs/dbraw/zinc/25/93/96/720259396.db2.gz HBXACXWZUUMJAH-VWLOTQADSA-N 2 2 448.571 2.144 20 0 IEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827859 720331525 /nfs/dbraw/zinc/33/15/25/720331525.db2.gz IYSKUAZCQCATEU-MKMATAJISA-N 2 2 426.561 2.488 20 0 IEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748655 720854142 /nfs/dbraw/zinc/85/41/42/720854142.db2.gz LIXIGQGQLVYTKE-HSALFYBXSA-N 2 2 440.621 2.001 20 0 IEADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748655 720854143 /nfs/dbraw/zinc/85/41/43/720854143.db2.gz LIXIGQGQLVYTKE-HSALFYBXSA-N 2 2 440.621 2.001 20 0 IEADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)O2)CC1 ZINC001164895371 721446173 /nfs/dbraw/zinc/44/61/73/721446173.db2.gz NZSGQJZIVRAIKT-ZCYQVOJMSA-N 3 2 443.636 2.320 20 0 IEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2)CC1 ZINC001164895371 721446176 /nfs/dbraw/zinc/44/61/76/721446176.db2.gz NZSGQJZIVRAIKT-ZCYQVOJMSA-N 3 2 443.636 2.320 20 0 IEADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001165023439 721838702 /nfs/dbraw/zinc/83/87/02/721838702.db2.gz XJGZZMDMPKJHLJ-UHFFFAOYSA-N 2 2 440.592 2.346 20 0 IEADLP Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001164946990 721961914 /nfs/dbraw/zinc/96/19/14/721961914.db2.gz OQRSCOICXRWOCI-VXKWHMMOSA-N 2 2 427.549 2.249 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981770 722106586 /nfs/dbraw/zinc/10/65/86/722106586.db2.gz MGLIOXHAFIZIRK-PKOBYXMFSA-N 2 2 436.516 2.257 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981770 722106589 /nfs/dbraw/zinc/10/65/89/722106589.db2.gz MGLIOXHAFIZIRK-PKOBYXMFSA-N 2 2 436.516 2.257 20 0 IEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164972767 722149433 /nfs/dbraw/zinc/14/94/33/722149433.db2.gz ALTRRWUNQNCMCA-PMACEKPBSA-N 2 2 426.590 2.152 20 0 IEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164972767 722149434 /nfs/dbraw/zinc/14/94/34/722149434.db2.gz ALTRRWUNQNCMCA-PMACEKPBSA-N 2 2 426.590 2.152 20 0 IEADLP Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]32)cs1 ZINC001164988568 722183965 /nfs/dbraw/zinc/18/39/65/722183965.db2.gz KLWHCRCCFQKMIO-SFTDATJTSA-N 2 2 442.633 2.468 20 0 IEADLP CCN(CC)C(=O)c1nc2c(s1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164663399 719360091 /nfs/dbraw/zinc/36/00/91/719360091.db2.gz DXWQSMVALKXAOJ-UHFFFAOYSA-N 2 2 428.606 2.377 20 0 IEADLP Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cs1 ZINC001164816636 720255707 /nfs/dbraw/zinc/25/57/07/720255707.db2.gz LABJHZDVGVHSGE-OALUTQOASA-N 2 2 426.590 2.368 20 0 IEADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c3)cc21 ZINC001164729507 720563615 /nfs/dbraw/zinc/56/36/15/720563615.db2.gz PVHUIPRXZMXDGO-UHFFFAOYSA-N 2 2 431.544 2.218 20 0 IEADLP COc1cc2c[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)cc2cc1OC ZINC001164874804 721287043 /nfs/dbraw/zinc/28/70/43/721287043.db2.gz CNKHTHABZZXRTG-UHFFFAOYSA-N 2 2 442.560 2.259 20 0 IEADLP COc1cc2c[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)cc2cc1OC ZINC001164874804 721287047 /nfs/dbraw/zinc/28/70/47/721287047.db2.gz CNKHTHABZZXRTG-UHFFFAOYSA-N 2 2 442.560 2.259 20 0 IEADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3NC(=O)CO4)C2)C1 ZINC001164779126 721351799 /nfs/dbraw/zinc/35/17/99/721351799.db2.gz RJJBMYIRCRKOBR-JOCHJYFZSA-N 2 2 427.505 2.136 20 0 IEADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3NC(=O)CO4)C2)C1 ZINC001164779126 721351801 /nfs/dbraw/zinc/35/18/01/721351801.db2.gz RJJBMYIRCRKOBR-JOCHJYFZSA-N 2 2 427.505 2.136 20 0 IEADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001164780766 721357858 /nfs/dbraw/zinc/35/78/58/721357858.db2.gz HFUKBCVADBUJQZ-QHCPKHFHSA-N 2 2 442.564 2.037 20 0 IEADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001164780766 721357866 /nfs/dbraw/zinc/35/78/66/721357866.db2.gz HFUKBCVADBUJQZ-QHCPKHFHSA-N 2 2 442.564 2.037 20 0 IEADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)O2)CC1 ZINC001164895369 721446647 /nfs/dbraw/zinc/44/66/47/721446647.db2.gz NZSGQJZIVRAIKT-NOZRDPDXSA-N 3 2 443.636 2.320 20 0 IEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2)CC1 ZINC001164895369 721446651 /nfs/dbraw/zinc/44/66/51/721446651.db2.gz NZSGQJZIVRAIKT-NOZRDPDXSA-N 3 2 443.636 2.320 20 0 IEADLP CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802921 721566713 /nfs/dbraw/zinc/56/67/13/721566713.db2.gz ITNRRPJFHYQGJM-FUPPJEDESA-N 2 2 438.576 2.139 20 0 IEADLP CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802921 721566714 /nfs/dbraw/zinc/56/67/14/721566714.db2.gz ITNRRPJFHYQGJM-FUPPJEDESA-N 2 2 438.576 2.139 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)C[C@@H]21 ZINC001165019142 721828136 /nfs/dbraw/zinc/82/81/36/721828136.db2.gz BECZXGKKHWAANB-PMXSJFBMSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)C[C@@H]21 ZINC001165019142 721828138 /nfs/dbraw/zinc/82/81/38/721828138.db2.gz BECZXGKKHWAANB-PMXSJFBMSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)C[C@@H]21 ZINC001165019142 721828139 /nfs/dbraw/zinc/82/81/39/721828139.db2.gz BECZXGKKHWAANB-PMXSJFBMSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)C[C@@H]21 ZINC001165019142 721828141 /nfs/dbraw/zinc/82/81/41/721828141.db2.gz BECZXGKKHWAANB-PMXSJFBMSA-N 2 2 435.576 2.063 20 0 IEADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164964276 722057493 /nfs/dbraw/zinc/05/74/93/722057493.db2.gz UJMWMMIHWPJGHQ-UHFFFAOYSA-N 2 2 436.516 2.259 20 0 IEADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164964276 722057496 /nfs/dbraw/zinc/05/74/96/722057496.db2.gz UJMWMMIHWPJGHQ-UHFFFAOYSA-N 2 2 436.516 2.259 20 0 IEADLP Cc1[nH+]cc2n1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164440072 718990489 /nfs/dbraw/zinc/99/04/89/718990489.db2.gz INSNDIUXUVLYAY-KRWDZBQOSA-N 2 2 426.565 2.406 20 0 IEADLP Cc1[nH+]cc2n1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164440072 718990495 /nfs/dbraw/zinc/99/04/95/718990495.db2.gz INSNDIUXUVLYAY-KRWDZBQOSA-N 2 2 426.565 2.406 20 0 IEADLP C[NH+]1CCN(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164695026 719887635 /nfs/dbraw/zinc/88/76/35/719887635.db2.gz JKOSEBMEZHKKND-UHFFFAOYSA-N 2 2 428.606 2.161 20 0 IEADLP C[NH+]1CCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164695026 719887636 /nfs/dbraw/zinc/88/76/36/719887636.db2.gz JKOSEBMEZHKKND-UHFFFAOYSA-N 2 2 428.606 2.161 20 0 IEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827862 720331682 /nfs/dbraw/zinc/33/16/82/720331682.db2.gz IYSKUAZCQCATEU-VPELESPFSA-N 2 2 426.561 2.488 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H](CC(=O)N5CCCCC5)OC[C@@H]4C3)[nH+]2)CC1 ZINC001164835697 720501427 /nfs/dbraw/zinc/50/14/27/720501427.db2.gz ZWGCNMQBMDBTEX-HBMCJLEFSA-N 2 2 427.593 2.077 20 0 IEADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)n2)CC1 ZINC001164859014 720983172 /nfs/dbraw/zinc/98/31/72/720983172.db2.gz KIDTXMSGFVJDIE-QGZVFWFLSA-N 2 2 441.580 2.484 20 0 IEADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)n2)CC1 ZINC001164859014 720983190 /nfs/dbraw/zinc/98/31/90/720983190.db2.gz KIDTXMSGFVJDIE-QGZVFWFLSA-N 2 2 441.580 2.484 20 0 IEADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)O2)CC1 ZINC001164895368 721446203 /nfs/dbraw/zinc/44/62/03/721446203.db2.gz NZSGQJZIVRAIKT-ILBGXUMGSA-N 3 2 443.636 2.320 20 0 IEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2)CC1 ZINC001164895368 721446204 /nfs/dbraw/zinc/44/62/04/721446204.db2.gz NZSGQJZIVRAIKT-ILBGXUMGSA-N 3 2 443.636 2.320 20 0 IEADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)O2)CC1 ZINC001164895370 721446703 /nfs/dbraw/zinc/44/67/03/721446703.db2.gz NZSGQJZIVRAIKT-UKILVPOCSA-N 3 2 443.636 2.320 20 0 IEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2)CC1 ZINC001164895370 721446705 /nfs/dbraw/zinc/44/67/05/721446705.db2.gz NZSGQJZIVRAIKT-UKILVPOCSA-N 3 2 443.636 2.320 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)C[C@H]21 ZINC001165019144 721827901 /nfs/dbraw/zinc/82/79/01/721827901.db2.gz BECZXGKKHWAANB-WLRLJWMZSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)C[C@H]21 ZINC001165019144 721827903 /nfs/dbraw/zinc/82/79/03/721827903.db2.gz BECZXGKKHWAANB-WLRLJWMZSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)C[C@H]21 ZINC001165019144 721827904 /nfs/dbraw/zinc/82/79/04/721827904.db2.gz BECZXGKKHWAANB-WLRLJWMZSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)C[C@H]21 ZINC001165019144 721827905 /nfs/dbraw/zinc/82/79/05/721827905.db2.gz BECZXGKKHWAANB-WLRLJWMZSA-N 2 2 435.576 2.063 20 0 IEADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001165023400 721842103 /nfs/dbraw/zinc/84/21/03/721842103.db2.gz ZQCGXLHCIVHFCA-UHFFFAOYSA-N 2 2 427.549 2.431 20 0 IEADLP O=C(c1cccnc1N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165036483 721913400 /nfs/dbraw/zinc/91/34/00/721913400.db2.gz DCEHVAIUSFZMIC-HSZRJFAPSA-N 2 2 449.599 2.341 20 0 IEADLP Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001164946987 721961960 /nfs/dbraw/zinc/96/19/60/721961960.db2.gz OQRSCOICXRWOCI-FGZHOGPDSA-N 2 2 427.549 2.249 20 0 IEADLP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)CC1 ZINC001164997572 722234477 /nfs/dbraw/zinc/23/44/77/722234477.db2.gz QODLDFZPCBISIV-UHFFFAOYSA-N 2 2 442.011 2.478 20 0 IEADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c32)C1 ZINC001164411274 718878880 /nfs/dbraw/zinc/87/88/80/718878880.db2.gz PBKFCFCWDDYCHW-OAHLLOKOSA-N 2 2 440.617 2.080 20 0 IEADLP COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)C1=O ZINC001164638129 719275850 /nfs/dbraw/zinc/27/58/50/719275850.db2.gz CWYVLVWDOYRJKD-UHFFFAOYSA-N 2 2 436.000 2.090 20 0 IEADLP COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)C1=O ZINC001164638129 719275854 /nfs/dbraw/zinc/27/58/54/719275854.db2.gz CWYVLVWDOYRJKD-UHFFFAOYSA-N 2 2 436.000 2.090 20 0 IEADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164686034 719703766 /nfs/dbraw/zinc/70/37/66/719703766.db2.gz WFLIUGZMXDZNLE-UHFFFAOYSA-N 2 2 434.588 2.216 20 0 IEADLP CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164686034 719703776 /nfs/dbraw/zinc/70/37/76/719703776.db2.gz WFLIUGZMXDZNLE-UHFFFAOYSA-N 2 2 434.588 2.216 20 0 IEADLP CNC(=O)C[NH+]1CCCC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164686034 719703789 /nfs/dbraw/zinc/70/37/89/719703789.db2.gz WFLIUGZMXDZNLE-UHFFFAOYSA-N 2 2 434.588 2.216 20 0 IEADLP CNC(=O)C[NH+]1CCCC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164686034 719703800 /nfs/dbraw/zinc/70/38/00/719703800.db2.gz WFLIUGZMXDZNLE-UHFFFAOYSA-N 2 2 434.588 2.216 20 0 IEADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164711558 720099047 /nfs/dbraw/zinc/09/90/47/720099047.db2.gz QSCYRIYFYKHQGP-OAQYLSRUSA-N 2 2 438.576 2.216 20 0 IEADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164711558 720099052 /nfs/dbraw/zinc/09/90/52/720099052.db2.gz QSCYRIYFYKHQGP-OAQYLSRUSA-N 2 2 438.576 2.216 20 0 IEADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748658 720854284 /nfs/dbraw/zinc/85/42/84/720854284.db2.gz LIXIGQGQLVYTKE-XUVXKRRUSA-N 2 2 440.621 2.001 20 0 IEADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748658 720854286 /nfs/dbraw/zinc/85/42/86/720854286.db2.gz LIXIGQGQLVYTKE-XUVXKRRUSA-N 2 2 440.621 2.001 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164873844 721297927 /nfs/dbraw/zinc/29/79/27/721297927.db2.gz BTNXDHQXPASLHH-UYAOXDASSA-N 2 2 441.601 2.262 20 0 IEADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@@H](COCc4ccccn4)C3)[nH+]2)CC1 ZINC001164894676 721470074 /nfs/dbraw/zinc/47/00/74/721470074.db2.gz XNJFZKBZTNTRSJ-HXUWFJFHSA-N 2 2 433.560 2.278 20 0 IEADLP Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]32)cs1 ZINC001164988566 722183959 /nfs/dbraw/zinc/18/39/59/722183959.db2.gz KLWHCRCCFQKMIO-RTWAWAEBSA-N 2 2 442.633 2.468 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)[nH+]2)CC1 ZINC001164997428 722220017 /nfs/dbraw/zinc/22/00/17/722220017.db2.gz DNKTZELXHZOFDH-XMMPIXPASA-N 2 2 435.528 2.196 20 0 IEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164635243 719136666 /nfs/dbraw/zinc/13/66/66/719136666.db2.gz WMSCQTRGOSZFCF-HOCLYGCPSA-N 2 2 429.590 2.363 20 0 IEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811052 720146120 /nfs/dbraw/zinc/14/61/20/720146120.db2.gz KQFKNPUEEFNXHA-YKSBVNFPSA-N 2 2 443.592 2.051 20 0 IEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811052 720146127 /nfs/dbraw/zinc/14/61/27/720146127.db2.gz KQFKNPUEEFNXHA-YKSBVNFPSA-N 2 2 443.592 2.051 20 0 IEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745096 720637896 /nfs/dbraw/zinc/63/78/96/720637896.db2.gz UIKAVAQHXHFMGM-RTWAWAEBSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745096 720637905 /nfs/dbraw/zinc/63/79/05/720637905.db2.gz UIKAVAQHXHFMGM-RTWAWAEBSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745096 720637916 /nfs/dbraw/zinc/63/79/16/720637916.db2.gz UIKAVAQHXHFMGM-RTWAWAEBSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745096 720637928 /nfs/dbraw/zinc/63/79/28/720637928.db2.gz UIKAVAQHXHFMGM-RTWAWAEBSA-N 2 2 443.555 2.167 20 0 IEADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164795969 721502458 /nfs/dbraw/zinc/50/24/58/721502458.db2.gz NYKKYQOCMHROKC-HXUWFJFHSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164795969 721502462 /nfs/dbraw/zinc/50/24/62/721502462.db2.gz NYKKYQOCMHROKC-HXUWFJFHSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164795969 721502466 /nfs/dbraw/zinc/50/24/66/721502466.db2.gz NYKKYQOCMHROKC-HXUWFJFHSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164795969 721502469 /nfs/dbraw/zinc/50/24/69/721502469.db2.gz NYKKYQOCMHROKC-HXUWFJFHSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164910767 721763511 /nfs/dbraw/zinc/76/35/11/721763511.db2.gz KVPRNRCPXJAJQV-UHFFFAOYSA-N 2 2 433.560 2.411 20 0 IEADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164910767 721763514 /nfs/dbraw/zinc/76/35/14/721763514.db2.gz KVPRNRCPXJAJQV-UHFFFAOYSA-N 2 2 433.560 2.411 20 0 IEADLP CCOC(=O)c1cc2cc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2[nH]1 ZINC001165001001 722252489 /nfs/dbraw/zinc/25/24/89/722252489.db2.gz YBWYXHDUDISNPM-UHFFFAOYSA-N 2 2 426.521 2.425 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c12 ZINC001164613800 719023371 /nfs/dbraw/zinc/02/33/71/719023371.db2.gz FEFRMISHTZELHE-UHFFFAOYSA-N 2 2 429.521 2.379 20 0 IEADLP C[NH+]1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164670657 719493888 /nfs/dbraw/zinc/49/38/88/719493888.db2.gz XSVJCRSQSUBVMF-UHFFFAOYSA-N 2 2 440.567 2.239 20 0 IEADLP C[NH+]1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164670657 719493906 /nfs/dbraw/zinc/49/39/06/719493906.db2.gz XSVJCRSQSUBVMF-UHFFFAOYSA-N 2 2 440.567 2.239 20 0 IEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812975 720165695 /nfs/dbraw/zinc/16/56/95/720165695.db2.gz BCHVPIKTEXDQMD-RDPSFJRHSA-N 2 2 441.624 2.257 20 0 IEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812975 720165708 /nfs/dbraw/zinc/16/57/08/720165708.db2.gz BCHVPIKTEXDQMD-RDPSFJRHSA-N 2 2 441.624 2.257 20 0 IEADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCC2 ZINC001164817971 720244229 /nfs/dbraw/zinc/24/42/29/720244229.db2.gz VUOZCHJSLMSUFK-UHFFFAOYSA-N 3 2 440.592 2.362 20 0 IEADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCC2 ZINC001164817971 720244238 /nfs/dbraw/zinc/24/42/38/720244238.db2.gz VUOZCHJSLMSUFK-UHFFFAOYSA-N 3 2 440.592 2.362 20 0 IEADLP Cn1cnc2c1[C@H](COCc1cccnc1)N(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164781553 721441459 /nfs/dbraw/zinc/44/14/59/721441459.db2.gz GHBRXJNGJAGCDT-NRFANRHFSA-N 2 2 433.560 2.283 20 0 IEADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]cnc4c2ccn4Cc2ccccc2)CC3)CC1 ZINC001164797702 721515043 /nfs/dbraw/zinc/51/50/43/721515043.db2.gz LAWCYKIXXHRIAJ-UHFFFAOYSA-N 2 2 442.571 2.444 20 0 IEADLP FC1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908281 721586353 /nfs/dbraw/zinc/58/63/53/721586353.db2.gz YESRNCALUMZYRC-OAQYLSRUSA-N 2 2 430.503 2.446 20 0 IEADLP FC1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908281 721586356 /nfs/dbraw/zinc/58/63/56/721586356.db2.gz YESRNCALUMZYRC-OAQYLSRUSA-N 2 2 430.503 2.446 20 0 IEADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164909379 721745424 /nfs/dbraw/zinc/74/54/24/721745424.db2.gz QITPKTGBUWETBK-UHFFFAOYSA-N 2 2 433.560 2.411 20 0 IEADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164909379 721745429 /nfs/dbraw/zinc/74/54/29/721745429.db2.gz QITPKTGBUWETBK-UHFFFAOYSA-N 2 2 433.560 2.411 20 0 IEADLP CC(C)CNC(=O)c1nc2c(s1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164965775 722066525 /nfs/dbraw/zinc/06/65/25/722066525.db2.gz MMFMXBJVFOOQAQ-UHFFFAOYSA-N 2 2 428.606 2.281 20 0 IEADLP COc1cc2c[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)cc2cc1OC ZINC001165001077 722238056 /nfs/dbraw/zinc/23/80/56/722238056.db2.gz BFPFOLWZVAAGKK-UHFFFAOYSA-N 2 2 434.544 2.399 20 0 IEADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1 ZINC001164644051 719283778 /nfs/dbraw/zinc/28/37/78/719283778.db2.gz ANDJAKNEYUOTKN-OAQYLSRUSA-N 2 2 429.609 2.388 20 0 IEADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1 ZINC001164644051 719283787 /nfs/dbraw/zinc/28/37/87/719283787.db2.gz ANDJAKNEYUOTKN-OAQYLSRUSA-N 2 2 429.609 2.388 20 0 IEADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644051 719283791 /nfs/dbraw/zinc/28/37/91/719283791.db2.gz ANDJAKNEYUOTKN-OAQYLSRUSA-N 2 2 429.609 2.388 20 0 IEADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644051 719283797 /nfs/dbraw/zinc/28/37/97/719283797.db2.gz ANDJAKNEYUOTKN-OAQYLSRUSA-N 2 2 429.609 2.388 20 0 IEADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164696704 719895271 /nfs/dbraw/zinc/89/52/71/719895271.db2.gz HPDVNQZWZDPSPY-UHFFFAOYSA-N 3 2 428.606 2.337 20 0 IEADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164696704 719895272 /nfs/dbraw/zinc/89/52/72/719895272.db2.gz HPDVNQZWZDPSPY-UHFFFAOYSA-N 3 2 428.606 2.337 20 0 IEADLP Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cs1 ZINC001164816634 720256063 /nfs/dbraw/zinc/25/60/63/720256063.db2.gz LABJHZDVGVHSGE-MOPGFXCFSA-N 2 2 426.590 2.368 20 0 IEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)C2=O)cs1 ZINC001164820417 720382889 /nfs/dbraw/zinc/38/28/89/720382889.db2.gz AZBMBYZBIAMKEP-UHFFFAOYSA-N 2 2 428.606 2.221 20 0 IEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)C2=O)cs1 ZINC001164820417 720382892 /nfs/dbraw/zinc/38/28/92/720382892.db2.gz AZBMBYZBIAMKEP-UHFFFAOYSA-N 2 2 428.606 2.221 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@H]4C3)[nH+]2)CC1 ZINC001164835698 720501068 /nfs/dbraw/zinc/50/10/68/720501068.db2.gz ZWGCNMQBMDBTEX-NJDAHSKKSA-N 2 2 427.593 2.077 20 0 IEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745091 720634915 /nfs/dbraw/zinc/63/49/15/720634915.db2.gz UIKAVAQHXHFMGM-LEWJYISDSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745091 720634923 /nfs/dbraw/zinc/63/49/23/720634923.db2.gz UIKAVAQHXHFMGM-LEWJYISDSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745091 720634928 /nfs/dbraw/zinc/63/49/28/720634928.db2.gz UIKAVAQHXHFMGM-LEWJYISDSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745091 720634932 /nfs/dbraw/zinc/63/49/32/720634932.db2.gz UIKAVAQHXHFMGM-LEWJYISDSA-N 2 2 443.555 2.167 20 0 IEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748656 720854320 /nfs/dbraw/zinc/85/43/20/720854320.db2.gz LIXIGQGQLVYTKE-SLFFLAALSA-N 2 2 440.621 2.001 20 0 IEADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748656 720854323 /nfs/dbraw/zinc/85/43/23/720854323.db2.gz LIXIGQGQLVYTKE-SLFFLAALSA-N 2 2 440.621 2.001 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)[nH+]2)CC1 ZINC001164857501 720900315 /nfs/dbraw/zinc/90/03/15/720900315.db2.gz LJFKRHUQTYUBHM-BWKNWUBXSA-N 2 2 435.572 2.391 20 0 IEADLP CN1C[C@@H](COCC2CC2)[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1=O ZINC001164857302 721029000 /nfs/dbraw/zinc/02/90/00/721029000.db2.gz CNTALPLAQGDYSC-BDTNDASRSA-N 2 2 441.620 2.181 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4CN(C(=O)c5ccsc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164873843 721297868 /nfs/dbraw/zinc/29/78/68/721297868.db2.gz BTNXDHQXPASLHH-QUCCMNQESA-N 2 2 441.601 2.262 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164873842 721298173 /nfs/dbraw/zinc/29/81/73/721298173.db2.gz BTNXDHQXPASLHH-ICSRJNTNSA-N 2 2 441.601 2.262 20 0 IEADLP Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164781556 721441366 /nfs/dbraw/zinc/44/13/66/721441366.db2.gz GHBRXJNGJAGCDT-OAQYLSRUSA-N 2 2 433.560 2.283 20 0 IEADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164795967 721502385 /nfs/dbraw/zinc/50/23/85/721502385.db2.gz NYKKYQOCMHROKC-FQEVSTJZSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164795967 721502389 /nfs/dbraw/zinc/50/23/89/721502389.db2.gz NYKKYQOCMHROKC-FQEVSTJZSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164795967 721502392 /nfs/dbraw/zinc/50/23/92/721502392.db2.gz NYKKYQOCMHROKC-FQEVSTJZSA-N 2 2 435.576 2.207 20 0 IEADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164795967 721502397 /nfs/dbraw/zinc/50/23/97/721502397.db2.gz NYKKYQOCMHROKC-FQEVSTJZSA-N 2 2 435.576 2.207 20 0 IEADLP FC1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908261 721586493 /nfs/dbraw/zinc/58/64/93/721586493.db2.gz YESRNCALUMZYRC-NRFANRHFSA-N 2 2 430.503 2.446 20 0 IEADLP FC1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908261 721586495 /nfs/dbraw/zinc/58/64/95/721586495.db2.gz YESRNCALUMZYRC-NRFANRHFSA-N 2 2 430.503 2.446 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CCN(c5cnccn5)C4)C3)[nH+]2)CC1 ZINC001164915133 721802654 /nfs/dbraw/zinc/80/26/54/721802654.db2.gz IHTCJISNBAHFTJ-OAQYLSRUSA-N 2 2 429.519 2.366 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)[nH+]2)CC1 ZINC001164919521 721810555 /nfs/dbraw/zinc/81/05/55/721810555.db2.gz YZPGODOPDMBBST-NPPFBWRTSA-N 2 2 429.590 2.491 20 0 IEADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164954666 722005905 /nfs/dbraw/zinc/00/59/05/722005905.db2.gz ZWAVRPHGZBRAAM-UHFFFAOYSA-N 2 2 430.560 2.354 20 0 IEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164635242 719136371 /nfs/dbraw/zinc/13/63/71/719136371.db2.gz WMSCQTRGOSZFCF-GOEBONIOSA-N 2 2 429.590 2.363 20 0 IEADLP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2cc1F ZINC001164874895 721291343 /nfs/dbraw/zinc/29/13/43/721291343.db2.gz DUTJTDXSOGHQIF-UHFFFAOYSA-N 2 2 430.524 2.390 20 0 IEADLP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2cc1F ZINC001164874895 721291348 /nfs/dbraw/zinc/29/13/48/721291348.db2.gz DUTJTDXSOGHQIF-UHFFFAOYSA-N 2 2 430.524 2.390 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)[nH+]2)CC1 ZINC001164919517 721810512 /nfs/dbraw/zinc/81/05/12/721810512.db2.gz YZPGODOPDMBBST-JBYIUTFZSA-N 2 2 429.590 2.491 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)C[C@@H]21 ZINC001165019141 721828287 /nfs/dbraw/zinc/82/82/87/721828287.db2.gz BECZXGKKHWAANB-GFOJFJKKSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)C[C@@H]21 ZINC001165019141 721828289 /nfs/dbraw/zinc/82/82/89/721828289.db2.gz BECZXGKKHWAANB-GFOJFJKKSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@@H]21 ZINC001165019141 721828291 /nfs/dbraw/zinc/82/82/91/721828291.db2.gz BECZXGKKHWAANB-GFOJFJKKSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@@H]21 ZINC001165019141 721828292 /nfs/dbraw/zinc/82/82/92/721828292.db2.gz BECZXGKKHWAANB-GFOJFJKKSA-N 2 2 435.576 2.063 20 0 IEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164972773 722149322 /nfs/dbraw/zinc/14/93/22/722149322.db2.gz ALTRRWUNQNCMCA-VQTJNVASSA-N 2 2 426.590 2.152 20 0 IEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164972773 722149324 /nfs/dbraw/zinc/14/93/24/722149324.db2.gz ALTRRWUNQNCMCA-VQTJNVASSA-N 2 2 426.590 2.152 20 0 IEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164972774 722149365 /nfs/dbraw/zinc/14/93/65/722149365.db2.gz ALTRRWUNQNCMCA-WOJBJXKFSA-N 2 2 426.590 2.152 20 0 IEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164972774 722149367 /nfs/dbraw/zinc/14/93/67/722149367.db2.gz ALTRRWUNQNCMCA-WOJBJXKFSA-N 2 2 426.590 2.152 20 0 IEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@H]2C1 ZINC001164854294 720885945 /nfs/dbraw/zinc/88/59/45/720885945.db2.gz DSTZEAYNRYOFTA-RBBKRZOGSA-N 2 2 441.576 2.295 20 0 IEADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@H]2C1 ZINC001164854294 720885948 /nfs/dbraw/zinc/88/59/48/720885948.db2.gz DSTZEAYNRYOFTA-RBBKRZOGSA-N 2 2 441.576 2.295 20 0 IEADLP COc1cc2[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)ccc2c(OC)c1 ZINC001164753704 720968216 /nfs/dbraw/zinc/96/82/16/720968216.db2.gz IMQJCTCAGDDSBH-UHFFFAOYSA-N 2 2 425.489 2.094 20 0 IEADLP CN1C[C@@H](COCC2CC2)[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1=O ZINC001164857303 721028519 /nfs/dbraw/zinc/02/85/19/721028519.db2.gz CNTALPLAQGDYSC-FKBYEOEOSA-N 2 2 441.620 2.181 20 0 IEADLP CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802924 721565971 /nfs/dbraw/zinc/56/59/71/721565971.db2.gz ITNRRPJFHYQGJM-GIWBLDEGSA-N 2 2 438.576 2.139 20 0 IEADLP CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802924 721565976 /nfs/dbraw/zinc/56/59/76/721565976.db2.gz ITNRRPJFHYQGJM-GIWBLDEGSA-N 2 2 438.576 2.139 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@H]4COCc3nccs3)[nH+]2)CC1 ZINC001164919520 721810449 /nfs/dbraw/zinc/81/04/49/721810449.db2.gz YZPGODOPDMBBST-NJNPRVFISA-N 2 2 429.590 2.491 20 0 IEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164629702 719136611 /nfs/dbraw/zinc/13/66/11/719136611.db2.gz CFMFLBJUDMAQCN-MRXNPFEDSA-N 2 2 429.590 2.363 20 0 IEADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1 ZINC001164644050 719284204 /nfs/dbraw/zinc/28/42/04/719284204.db2.gz ANDJAKNEYUOTKN-NRFANRHFSA-N 2 2 429.609 2.388 20 0 IEADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1 ZINC001164644050 719284207 /nfs/dbraw/zinc/28/42/07/719284207.db2.gz ANDJAKNEYUOTKN-NRFANRHFSA-N 2 2 429.609 2.388 20 0 IEADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644050 719284210 /nfs/dbraw/zinc/28/42/10/719284210.db2.gz ANDJAKNEYUOTKN-NRFANRHFSA-N 2 2 429.609 2.388 20 0 IEADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644050 719284214 /nfs/dbraw/zinc/28/42/14/719284214.db2.gz ANDJAKNEYUOTKN-NRFANRHFSA-N 2 2 429.609 2.388 20 0 IEADLP C[NH+]1CCN(c2nccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164706947 719900845 /nfs/dbraw/zinc/90/08/45/719900845.db2.gz LYWLCEBSQDSBCZ-UHFFFAOYSA-N 2 2 428.606 2.161 20 0 IEADLP C[NH+]1CCN(c2nccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164706947 719900854 /nfs/dbraw/zinc/90/08/54/719900854.db2.gz LYWLCEBSQDSBCZ-UHFFFAOYSA-N 2 2 428.606 2.161 20 0 IEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811050 720146427 /nfs/dbraw/zinc/14/64/27/720146427.db2.gz KQFKNPUEEFNXHA-HYBUGGRVSA-N 2 2 443.592 2.051 20 0 IEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)C2 ZINC001164811050 720146446 /nfs/dbraw/zinc/14/64/46/720146446.db2.gz KQFKNPUEEFNXHA-HYBUGGRVSA-N 2 2 443.592 2.051 20 0 IEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745098 720638298 /nfs/dbraw/zinc/63/82/98/720638298.db2.gz UIKAVAQHXHFMGM-SFTDATJTSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745098 720638311 /nfs/dbraw/zinc/63/83/11/720638311.db2.gz UIKAVAQHXHFMGM-SFTDATJTSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745098 720638324 /nfs/dbraw/zinc/63/83/24/720638324.db2.gz UIKAVAQHXHFMGM-SFTDATJTSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3C2)cc1 ZINC001164745098 720638332 /nfs/dbraw/zinc/63/83/32/720638332.db2.gz UIKAVAQHXHFMGM-SFTDATJTSA-N 2 2 443.555 2.167 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)[nH+]2)CC1 ZINC001164857508 720900170 /nfs/dbraw/zinc/90/01/70/720900170.db2.gz LJFKRHUQTYUBHM-PXDATVDWSA-N 2 2 435.572 2.391 20 0 IEADLP CN1C[C@H](COCC2CC2)[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1=O ZINC001164857305 721028874 /nfs/dbraw/zinc/02/88/74/721028874.db2.gz CNTALPLAQGDYSC-VSKRKVRLSA-N 2 2 441.620 2.181 20 0 IEADLP CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802927 721566245 /nfs/dbraw/zinc/56/62/45/721566245.db2.gz ITNRRPJFHYQGJM-QNWVGRARSA-N 2 2 438.576 2.139 20 0 IEADLP CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164802927 721566249 /nfs/dbraw/zinc/56/62/49/721566249.db2.gz ITNRRPJFHYQGJM-QNWVGRARSA-N 2 2 438.576 2.139 20 0 IEADLP FC1(F)CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908676 721714054 /nfs/dbraw/zinc/71/40/54/721714054.db2.gz YMBLAFPSTPGBIR-OAQYLSRUSA-N 2 2 430.503 2.446 20 0 IEADLP FC1(F)CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908676 721714061 /nfs/dbraw/zinc/71/40/61/721714061.db2.gz YMBLAFPSTPGBIR-OAQYLSRUSA-N 2 2 430.503 2.446 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CCN(c5cnccn5)C4)C3)[nH+]2)CC1 ZINC001164915132 721802711 /nfs/dbraw/zinc/80/27/11/721802711.db2.gz IHTCJISNBAHFTJ-NRFANRHFSA-N 2 2 429.519 2.366 20 0 IEADLP Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]32)cs1 ZINC001164988562 722183962 /nfs/dbraw/zinc/18/39/62/722183962.db2.gz KLWHCRCCFQKMIO-LEWJYISDSA-N 2 2 442.633 2.468 20 0 IEADLP Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CC[C@@H]32)cs1 ZINC001164987400 722184374 /nfs/dbraw/zinc/18/43/74/722184374.db2.gz HQROLNJHVDESTR-LEWJYISDSA-N 2 2 428.606 2.126 20 0 IEADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)CCC2 ZINC001165000371 722253065 /nfs/dbraw/zinc/25/30/65/722253065.db2.gz PBYIJPFBIJPTEG-UHFFFAOYSA-N 2 2 449.559 2.048 20 0 IEADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164635241 719136184 /nfs/dbraw/zinc/13/61/84/719136184.db2.gz WMSCQTRGOSZFCF-GDBMZVCRSA-N 2 2 429.590 2.363 20 0 IEADLP COCCN1CC[N@H+](C)C2(CCN(c3[nH+]ccc4cc(OC)c(OC)cc43)CC2)C1=O ZINC001164639917 719275691 /nfs/dbraw/zinc/27/56/91/719275691.db2.gz LVPOHHJDUYBHDL-UHFFFAOYSA-N 2 2 428.533 2.011 20 0 IEADLP COCCN1CC[N@@H+](C)C2(CCN(c3[nH+]ccc4cc(OC)c(OC)cc43)CC2)C1=O ZINC001164639917 719275694 /nfs/dbraw/zinc/27/56/94/719275694.db2.gz LVPOHHJDUYBHDL-UHFFFAOYSA-N 2 2 428.533 2.011 20 0 IEADLP COCCN1CC[N@H+](C)C2(CCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC2)C1=O ZINC001164644341 719281827 /nfs/dbraw/zinc/28/18/27/719281827.db2.gz JLRLOLBEGQVRDF-UHFFFAOYSA-N 2 2 428.533 2.011 20 0 IEADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC2)C1=O ZINC001164644341 719281833 /nfs/dbraw/zinc/28/18/33/719281833.db2.gz JLRLOLBEGQVRDF-UHFFFAOYSA-N 2 2 428.533 2.011 20 0 IEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812974 720163479 /nfs/dbraw/zinc/16/34/79/720163479.db2.gz BCHVPIKTEXDQMD-HYBUGGRVSA-N 2 2 441.624 2.257 20 0 IEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812974 720163488 /nfs/dbraw/zinc/16/34/88/720163488.db2.gz BCHVPIKTEXDQMD-HYBUGGRVSA-N 2 2 441.624 2.257 20 0 IEADLP CCCN(CCC)c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc[nH+]1 ZINC001164718483 720190747 /nfs/dbraw/zinc/19/07/47/720190747.db2.gz ZVISIWYCNLDKQV-FQEVSTJZSA-N 2 2 442.612 2.448 20 0 IEADLP CCCN(CCC)c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]cn1 ZINC001164718483 720190752 /nfs/dbraw/zinc/19/07/52/720190752.db2.gz ZVISIWYCNLDKQV-FQEVSTJZSA-N 2 2 442.612 2.448 20 0 IEADLP Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cs1 ZINC001164816642 720255414 /nfs/dbraw/zinc/25/54/14/720255414.db2.gz LABJHZDVGVHSGE-RTBURBONSA-N 2 2 426.590 2.368 20 0 IEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164719353 720255658 /nfs/dbraw/zinc/25/56/58/720255658.db2.gz LDJKGYLBBTYLQX-QHCPKHFHSA-N 2 2 426.565 2.211 20 0 IEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164719353 720255671 /nfs/dbraw/zinc/25/56/71/720255671.db2.gz LDJKGYLBBTYLQX-QHCPKHFHSA-N 2 2 426.565 2.211 20 0 IEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164719352 720256997 /nfs/dbraw/zinc/25/69/97/720256997.db2.gz LDJKGYLBBTYLQX-HSZRJFAPSA-N 2 2 426.565 2.211 20 0 IEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164719352 720257004 /nfs/dbraw/zinc/25/70/04/720257004.db2.gz LDJKGYLBBTYLQX-HSZRJFAPSA-N 2 2 426.565 2.211 20 0 IEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-n5ccnc5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164826941 720382617 /nfs/dbraw/zinc/38/26/17/720382617.db2.gz YWDNFIHHBKLFJC-UHFFFAOYSA-N 2 2 437.573 2.345 20 0 IEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-n5ccnc5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164826941 720382624 /nfs/dbraw/zinc/38/26/24/720382624.db2.gz YWDNFIHHBKLFJC-UHFFFAOYSA-N 2 2 437.573 2.345 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)N4CCCCC4)C3)[nH+]2)CC1 ZINC001164835699 720501362 /nfs/dbraw/zinc/50/13/62/720501362.db2.gz ZWGCNMQBMDBTEX-NJYVYQBISA-N 2 2 427.593 2.077 20 0 IEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745094 720640003 /nfs/dbraw/zinc/64/00/03/720640003.db2.gz UIKAVAQHXHFMGM-NHCUHLMSSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745094 720640020 /nfs/dbraw/zinc/64/00/20/720640020.db2.gz UIKAVAQHXHFMGM-NHCUHLMSSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745094 720640036 /nfs/dbraw/zinc/64/00/36/720640036.db2.gz UIKAVAQHXHFMGM-NHCUHLMSSA-N 2 2 443.555 2.167 20 0 IEADLP c1ccc(C[NH+]2CCc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164745094 720640050 /nfs/dbraw/zinc/64/00/50/720640050.db2.gz UIKAVAQHXHFMGM-NHCUHLMSSA-N 2 2 443.555 2.167 20 0 IEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856510 720839758 /nfs/dbraw/zinc/83/97/58/720839758.db2.gz WSABZWAPPGBEOP-XUZZJYLKSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856510 720839760 /nfs/dbraw/zinc/83/97/60/720839760.db2.gz WSABZWAPPGBEOP-XUZZJYLKSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856510 720839762 /nfs/dbraw/zinc/83/97/62/720839762.db2.gz WSABZWAPPGBEOP-XUZZJYLKSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164856510 720839764 /nfs/dbraw/zinc/83/97/64/720839764.db2.gz WSABZWAPPGBEOP-XUZZJYLKSA-N 2 2 437.588 2.208 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)[nH+]2)CC1 ZINC001164857511 720900066 /nfs/dbraw/zinc/90/00/66/720900066.db2.gz LJFKRHUQTYUBHM-SQJMNOBHSA-N 2 2 435.572 2.391 20 0 IEADLP CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1=O ZINC001164857304 721028644 /nfs/dbraw/zinc/02/86/44/721028644.db2.gz CNTALPLAQGDYSC-FSSWDIPSSA-N 2 2 441.620 2.181 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCC4(CCN(C(=O)c5cscn5)C4)CC3)[nH+]2)CC1 ZINC001164875404 721329243 /nfs/dbraw/zinc/32/92/43/721329243.db2.gz KSWYQHPLSHRNKO-UHFFFAOYSA-N 2 2 426.590 2.423 20 0 IEADLP FC1(F)CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908672 721713685 /nfs/dbraw/zinc/71/36/85/721713685.db2.gz YMBLAFPSTPGBIR-NRFANRHFSA-N 2 2 430.503 2.446 20 0 IEADLP FC1(F)CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908672 721713689 /nfs/dbraw/zinc/71/36/89/721713689.db2.gz YMBLAFPSTPGBIR-NRFANRHFSA-N 2 2 430.503 2.446 20 0 IEADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001164910099 721757265 /nfs/dbraw/zinc/75/72/65/721757265.db2.gz MBTYKQXIBXBVBN-UHFFFAOYSA-N 2 2 446.555 2.310 20 0 IEADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001164910099 721757268 /nfs/dbraw/zinc/75/72/68/721757268.db2.gz MBTYKQXIBXBVBN-UHFFFAOYSA-N 2 2 446.555 2.310 20 0 IEADLP O=C(c1cccnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165036485 721913550 /nfs/dbraw/zinc/91/35/50/721913550.db2.gz DCEHVAIUSFZMIC-QHCPKHFHSA-N 2 2 449.599 2.341 20 0 IEADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c32)C1 ZINC001164411271 718878981 /nfs/dbraw/zinc/87/89/81/718878981.db2.gz PBKFCFCWDDYCHW-HNNXBMFYSA-N 2 2 440.617 2.080 20 0 IEADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@H]2C1 ZINC001164854297 720886044 /nfs/dbraw/zinc/88/60/44/720886044.db2.gz DSTZEAYNRYOFTA-UNMCSNQZSA-N 2 2 441.576 2.295 20 0 IEADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@H]2C1 ZINC001164854297 720886045 /nfs/dbraw/zinc/88/60/45/720886045.db2.gz DSTZEAYNRYOFTA-UNMCSNQZSA-N 2 2 441.576 2.295 20 0 IEADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)n2)CC1 ZINC001164859012 720984624 /nfs/dbraw/zinc/98/46/24/720984624.db2.gz KIDTXMSGFVJDIE-KRWDZBQOSA-N 2 2 441.580 2.484 20 0 IEADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)n2)CC1 ZINC001164859012 720984636 /nfs/dbraw/zinc/98/46/36/720984636.db2.gz KIDTXMSGFVJDIE-KRWDZBQOSA-N 2 2 441.580 2.484 20 0 IEADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@H](COCc4ccccn4)C3)[nH+]2)CC1 ZINC001164894674 721469740 /nfs/dbraw/zinc/46/97/40/721469740.db2.gz XNJFZKBZTNTRSJ-FQEVSTJZSA-N 2 2 433.560 2.278 20 0 IEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164972770 722149534 /nfs/dbraw/zinc/14/95/34/722149534.db2.gz ALTRRWUNQNCMCA-UXHICEINSA-N 2 2 426.590 2.152 20 0 IEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164972770 722149535 /nfs/dbraw/zinc/14/95/35/722149535.db2.gz ALTRRWUNQNCMCA-UXHICEINSA-N 2 2 426.590 2.152 20 0 IEADLP Cc1nc(CN2CCO[C@H]3CCN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CC[C@@H]32)cs1 ZINC001164987403 722184434 /nfs/dbraw/zinc/18/44/34/722184434.db2.gz HQROLNJHVDESTR-SFTDATJTSA-N 2 2 428.606 2.126 20 0 IEADLP Cc1nc(CN2CCO[C@H]3CCN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CC[C@H]32)cs1 ZINC001164987402 722184487 /nfs/dbraw/zinc/18/44/87/722184487.db2.gz HQROLNJHVDESTR-RTWAWAEBSA-N 2 2 428.606 2.126 20 0 IEADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCOCC34C[NH2+]C4)c2c1C ZINC001164405425 718860869 /nfs/dbraw/zinc/86/08/69/718860869.db2.gz RSCVKYXAHDKNMQ-UHFFFAOYSA-N 2 2 445.589 2.341 20 0 IEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164635244 719136882 /nfs/dbraw/zinc/13/68/82/719136882.db2.gz WMSCQTRGOSZFCF-ZBFHGGJFSA-N 2 2 429.590 2.363 20 0 IEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812976 720165142 /nfs/dbraw/zinc/16/51/42/720165142.db2.gz BCHVPIKTEXDQMD-YKSBVNFPSA-N 2 2 441.624 2.257 20 0 IEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001164812976 720165156 /nfs/dbraw/zinc/16/51/56/720165156.db2.gz BCHVPIKTEXDQMD-YKSBVNFPSA-N 2 2 441.624 2.257 20 0 IEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827865 720331805 /nfs/dbraw/zinc/33/18/05/720331805.db2.gz IYSKUAZCQCATEU-WJCJLTOMSA-N 2 2 426.561 2.488 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)[nH+]2)CC1 ZINC001164843109 720742591 /nfs/dbraw/zinc/74/25/91/720742591.db2.gz JBHNHFAZOKEWRI-UHFFFAOYSA-N 3 2 444.587 2.191 20 0 IEADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@@H]2C1 ZINC001164854289 720885998 /nfs/dbraw/zinc/88/59/98/720885998.db2.gz DSTZEAYNRYOFTA-IFMALSPDSA-N 2 2 441.576 2.295 20 0 IEADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N(C)Cc4ccc(OC)cc4)cc[nH+]3)CC[C@@H]2C1 ZINC001164854289 720885999 /nfs/dbraw/zinc/88/59/99/720885999.db2.gz DSTZEAYNRYOFTA-IFMALSPDSA-N 2 2 441.576 2.295 20 0 IEADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)CC1 ZINC001164796867 721515164 /nfs/dbraw/zinc/51/51/64/721515164.db2.gz FTTFAGXRFOLXAJ-UHFFFAOYSA-N 2 2 430.000 2.295 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981766 722106628 /nfs/dbraw/zinc/10/66/28/722106628.db2.gz MGLIOXHAFIZIRK-IEBWSBKVSA-N 2 2 436.516 2.257 20 0 IEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981766 722106630 /nfs/dbraw/zinc/10/66/30/722106630.db2.gz MGLIOXHAFIZIRK-IEBWSBKVSA-N 2 2 436.516 2.257 20 0 IEADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164629701 719136860 /nfs/dbraw/zinc/13/68/60/719136860.db2.gz CFMFLBJUDMAQCN-INIZCTEOSA-N 2 2 429.590 2.363 20 0 IEADLP CCOC(=O)c1c(C)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]c1C ZINC001164716591 720187090 /nfs/dbraw/zinc/18/70/90/720187090.db2.gz IKVZCCPOIHAKSO-LJQANCHMSA-N 2 2 442.564 2.220 20 0 IEADLP CCCN(CCC)c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc[nH+]1 ZINC001164718484 720190688 /nfs/dbraw/zinc/19/06/88/720190688.db2.gz ZVISIWYCNLDKQV-HXUWFJFHSA-N 2 2 442.612 2.448 20 0 IEADLP CCCN(CCC)c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]cn1 ZINC001164718484 720190696 /nfs/dbraw/zinc/19/06/96/720190696.db2.gz ZVISIWYCNLDKQV-HXUWFJFHSA-N 2 2 442.612 2.448 20 0 IEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164718692 720258022 /nfs/dbraw/zinc/25/80/22/720258022.db2.gz HBXACXWZUUMJAH-RUZDIDTESA-N 2 2 448.571 2.144 20 0 IEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164718692 720258027 /nfs/dbraw/zinc/25/80/27/720258027.db2.gz HBXACXWZUUMJAH-RUZDIDTESA-N 2 2 448.571 2.144 20 0 IEADLP COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856506 720839313 /nfs/dbraw/zinc/83/93/13/720839313.db2.gz WSABZWAPPGBEOP-QPPBQGQZSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856506 720839314 /nfs/dbraw/zinc/83/93/14/720839314.db2.gz WSABZWAPPGBEOP-QPPBQGQZSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856506 720839315 /nfs/dbraw/zinc/83/93/15/720839315.db2.gz WSABZWAPPGBEOP-QPPBQGQZSA-N 2 2 437.588 2.208 20 0 IEADLP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164856506 720839316 /nfs/dbraw/zinc/83/93/16/720839316.db2.gz WSABZWAPPGBEOP-QPPBQGQZSA-N 2 2 437.588 2.208 20 0 IEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748657 720854109 /nfs/dbraw/zinc/85/41/09/720854109.db2.gz LIXIGQGQLVYTKE-VAMGGRTRSA-N 2 2 440.621 2.001 20 0 IEADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748657 720854110 /nfs/dbraw/zinc/85/41/10/720854110.db2.gz LIXIGQGQLVYTKE-VAMGGRTRSA-N 2 2 440.621 2.001 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)[nH+]2)CC1 ZINC001164857503 720899824 /nfs/dbraw/zinc/89/98/24/720899824.db2.gz LJFKRHUQTYUBHM-OFVILXPXSA-N 2 2 435.572 2.391 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164873841 721298049 /nfs/dbraw/zinc/29/80/49/721298049.db2.gz BTNXDHQXPASLHH-AZUAARDMSA-N 2 2 441.601 2.262 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)C[C@H]21 ZINC001165019139 721827910 /nfs/dbraw/zinc/82/79/10/721827910.db2.gz BECZXGKKHWAANB-CWJKEVGVSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)C[C@H]21 ZINC001165019139 721827911 /nfs/dbraw/zinc/82/79/11/721827911.db2.gz BECZXGKKHWAANB-CWJKEVGVSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@H]21 ZINC001165019139 721827913 /nfs/dbraw/zinc/82/79/13/721827913.db2.gz BECZXGKKHWAANB-CWJKEVGVSA-N 2 2 435.576 2.063 20 0 IEADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@H]21 ZINC001165019139 721827915 /nfs/dbraw/zinc/82/79/15/721827915.db2.gz BECZXGKKHWAANB-CWJKEVGVSA-N 2 2 435.576 2.063 20 0 IEADLP Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001164946993 721961996 /nfs/dbraw/zinc/96/19/96/721961996.db2.gz OQRSCOICXRWOCI-YADHBBJMSA-N 2 2 427.549 2.249 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)[nH+]2)CC1 ZINC001164997427 722220055 /nfs/dbraw/zinc/22/00/55/722220055.db2.gz DNKTZELXHZOFDH-DEOSSOPVSA-N 2 2 435.528 2.196 20 0 IEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827856 720331999 /nfs/dbraw/zinc/33/19/99/720331999.db2.gz IYSKUAZCQCATEU-JPZWTCJMSA-N 2 2 426.561 2.488 20 0 IEADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001164780765 721358187 /nfs/dbraw/zinc/35/81/87/721358187.db2.gz HFUKBCVADBUJQZ-HSZRJFAPSA-N 2 2 442.564 2.037 20 0 IEADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001164780765 721358189 /nfs/dbraw/zinc/35/81/89/721358189.db2.gz HFUKBCVADBUJQZ-HSZRJFAPSA-N 2 2 442.564 2.037 20 0 IEADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@@H]43)[nH+]2)CC1 ZINC001164919519 721810572 /nfs/dbraw/zinc/81/05/72/721810572.db2.gz YZPGODOPDMBBST-KGVIQGDOSA-N 2 2 429.590 2.491 20 0 IEADLP Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001164946982 721962025 /nfs/dbraw/zinc/96/20/25/721962025.db2.gz OQRSCOICXRWOCI-FCHUYYIVSA-N 2 2 427.549 2.249 20 0 IEADLP