smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000010178098 132345507 /nfs/dbraw/zinc/34/55/07/132345507.db2.gz YVLNUAKGZAXJSL-UHFFFAOYSA-N 2 2 408.546 2.162 50 0 HEAALP Cc1ccc(OC[C@H](O)Cn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])cc1 ZINC000000789768 557081044 /nfs/dbraw/zinc/08/10/44/557081044.db2.gz ANBOODCPHRWWQQ-LJQANCHMSA-N 2 2 410.518 2.003 50 0 HEAALP Cc1ccc(OC[C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])cc1 ZINC000002842045 557401607 /nfs/dbraw/zinc/40/16/07/557401607.db2.gz ANBOODCPHRWWQQ-IBGZPJMESA-N 2 2 410.518 2.003 50 0 HEAALP COC[C@H]1CCCC[N@@H+]1Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12 ZINC000019794418 558283656 /nfs/dbraw/zinc/28/36/56/558283656.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 2 2 405.568 2.174 50 0 HEAALP COC[C@H]1CCCC[N@H+]1Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12 ZINC000019794418 558283658 /nfs/dbraw/zinc/28/36/58/558283658.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 2 2 405.568 2.174 50 0 HEAALP COC[C@H]1CCCC[NH+]1Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000019794418 558283663 /nfs/dbraw/zinc/28/36/63/558283663.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 2 2 405.568 2.174 50 0 HEAALP COC[C@H]1CCCC[NH+]1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000019794418 558283666 /nfs/dbraw/zinc/28/36/66/558283666.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 2 2 405.568 2.174 50 0 HEAALP COc1cc2[nH+]c(N(C)C)c(CN(CC[NH+](C)C)C(C)=O)cc2c(OC)c1OC ZINC000015001390 558697945 /nfs/dbraw/zinc/69/79/45/558697945.db2.gz FPORDGDUQVQPIM-UHFFFAOYSA-N 2 2 404.511 2.237 50 0 HEAALP CN(CCC(C)(C)O)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109115 559038890 /nfs/dbraw/zinc/03/88/90/559038890.db2.gz MZNYMLAVYBKZAM-HXUWFJFHSA-N 2 2 402.583 2.377 50 0 HEAALP CN(CCC(C)(C)O)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109115 559038891 /nfs/dbraw/zinc/03/88/91/559038891.db2.gz MZNYMLAVYBKZAM-HXUWFJFHSA-N 2 2 402.583 2.377 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120914 559039563 /nfs/dbraw/zinc/03/95/63/559039563.db2.gz YGTQRBMYAVGRQM-NRFANRHFSA-N 2 2 410.566 2.150 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120914 559039564 /nfs/dbraw/zinc/03/95/64/559039564.db2.gz YGTQRBMYAVGRQM-NRFANRHFSA-N 2 2 410.566 2.150 50 0 HEAALP Cc1noc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082127019 559039806 /nfs/dbraw/zinc/03/98/06/559039806.db2.gz ARWHPZQYNRAWQT-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP Cc1noc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082127019 559039807 /nfs/dbraw/zinc/03/98/07/559039807.db2.gz ARWHPZQYNRAWQT-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082147579 559041006 /nfs/dbraw/zinc/04/10/06/559041006.db2.gz PESWYJVKPYTECH-HXUWFJFHSA-N 2 2 400.567 2.179 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082147579 559041007 /nfs/dbraw/zinc/04/10/07/559041007.db2.gz PESWYJVKPYTECH-HXUWFJFHSA-N 2 2 400.567 2.179 50 0 HEAALP Cc1nc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082160369 559041785 /nfs/dbraw/zinc/04/17/85/559041785.db2.gz HPGOJVARMIGLRZ-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP Cc1nc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082160369 559041786 /nfs/dbraw/zinc/04/17/86/559041786.db2.gz HPGOJVARMIGLRZ-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091872629 559074316 /nfs/dbraw/zinc/07/43/16/559074316.db2.gz BILAHSCMNRHNLC-NRFANRHFSA-N 3 2 421.589 2.380 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091872629 559074318 /nfs/dbraw/zinc/07/43/18/559074318.db2.gz BILAHSCMNRHNLC-NRFANRHFSA-N 3 2 421.589 2.380 50 0 HEAALP Nc1n[nH]c2nc(NCCC[NH+]3CCOCC3)c3c(c12)CC[N@H+](C1CCCCC1)C3 ZINC000005207535 568417441 /nfs/dbraw/zinc/41/74/41/568417441.db2.gz PWCDGKBXNNCEJA-UHFFFAOYSA-N 2 2 413.570 2.365 50 0 HEAALP Nc1n[nH]c2nc(NCCC[NH+]3CCOCC3)c3c(c12)CC[N@@H+](C1CCCCC1)C3 ZINC000005207535 568417444 /nfs/dbraw/zinc/41/74/44/568417444.db2.gz PWCDGKBXNNCEJA-UHFFFAOYSA-N 2 2 413.570 2.365 50 0 HEAALP Nc1[nH]nc2nc(NCCC[NH+]3CCOCC3)c3c(c12)CC[N@@H+](C1CCCCC1)C3 ZINC000005207535 568417445 /nfs/dbraw/zinc/41/74/45/568417445.db2.gz PWCDGKBXNNCEJA-UHFFFAOYSA-N 2 2 413.570 2.365 50 0 HEAALP Nc1[nH]nc2nc(NCCC[NH+]3CCOCC3)c3c(c12)CC[N@H+](C1CCCCC1)C3 ZINC000005207535 568417447 /nfs/dbraw/zinc/41/74/47/568417447.db2.gz PWCDGKBXNNCEJA-UHFFFAOYSA-N 2 2 413.570 2.365 50 0 HEAALP C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000095993351 568678069 /nfs/dbraw/zinc/67/80/69/568678069.db2.gz DFENLKDBZHQQMH-GGPKGHCWSA-N 2 2 418.563 2.194 50 0 HEAALP [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1)OCCCO4 ZINC000012547323 568850852 /nfs/dbraw/zinc/85/08/52/568850852.db2.gz XGTVOCRTUNZODO-LJQANCHMSA-N 2 2 401.430 2.480 50 0 HEAALP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404727 569365848 /nfs/dbraw/zinc/36/58/48/569365848.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404727 569365849 /nfs/dbraw/zinc/36/58/49/569365849.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404727 569365851 /nfs/dbraw/zinc/36/58/51/569365851.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404727 569365853 /nfs/dbraw/zinc/36/58/53/569365853.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 2 2 423.561 2.408 50 0 HEAALP CCOC(=O)c1c[nH+]c2ccc(C(=O)OC)cc2c1NCCC[NH+]1CCOCC1 ZINC000019792126 569429786 /nfs/dbraw/zinc/42/97/86/569429786.db2.gz ZAFDPXPGYCCVNA-UHFFFAOYSA-N 2 2 401.463 2.332 50 0 HEAALP COc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000012486621 132361150 /nfs/dbraw/zinc/36/11/50/132361150.db2.gz OJYWQYQYQYXQCD-UHFFFAOYSA-N 2 2 422.573 2.470 50 0 HEAALP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019742522 558263015 /nfs/dbraw/zinc/26/30/15/558263015.db2.gz MBOUDOXMGOPCSL-NRFANRHFSA-N 2 2 411.550 2.232 50 0 HEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019742522 558263016 /nfs/dbraw/zinc/26/30/16/558263016.db2.gz MBOUDOXMGOPCSL-NRFANRHFSA-N 2 2 411.550 2.232 50 0 HEAALP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012755435 558460123 /nfs/dbraw/zinc/46/01/23/558460123.db2.gz PVBJOLSUZJCJEM-QFIPXVFZSA-N 2 2 414.546 2.408 50 0 HEAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH+]3CCCCCC3)cc2OC)CC1 ZINC000023360737 558552137 /nfs/dbraw/zinc/55/21/37/558552137.db2.gz FHKPFJAZNCQADV-OAQYLSRUSA-N 2 2 405.583 2.448 50 0 HEAALP COc1ccc(C[NH2+]Cc2cccc(F)c2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000023375266 558554816 /nfs/dbraw/zinc/55/48/16/558554816.db2.gz ORAZCKQNQYAAAU-NRFANRHFSA-N 2 2 417.525 2.111 50 0 HEAALP COc1ccc(C[NH2+]Cc2cccc(F)c2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000023375266 558554818 /nfs/dbraw/zinc/55/48/18/558554818.db2.gz ORAZCKQNQYAAAU-NRFANRHFSA-N 2 2 417.525 2.111 50 0 HEAALP COC(=O)CC[C@H]1C[N@H+](Cc2cccc(OC)c2OC)CC[C@H]1[NH+]1CCOCC1 ZINC000014883195 558676869 /nfs/dbraw/zinc/67/68/69/558676869.db2.gz HJFQSTSPLYTYDL-PKOBYXMFSA-N 2 2 406.523 2.180 50 0 HEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@H]1[NH+]1CCOCC1 ZINC000014883195 558676871 /nfs/dbraw/zinc/67/68/71/558676871.db2.gz HJFQSTSPLYTYDL-PKOBYXMFSA-N 2 2 406.523 2.180 50 0 HEAALP CCOC(=O)c1cc(NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C)cc(C(=O)OCC)c1 ZINC000058449050 558927747 /nfs/dbraw/zinc/92/77/47/558927747.db2.gz GTJHMSZWMKYRJN-UHFFFAOYSA-N 2 2 407.511 2.156 50 0 HEAALP CCc1ccc(C(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)cc1 ZINC000072140609 558929099 /nfs/dbraw/zinc/92/90/99/558929099.db2.gz PFRJLDBXRBQCLY-UHFFFAOYSA-N 2 2 408.550 2.062 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137458 559040442 /nfs/dbraw/zinc/04/04/42/559040442.db2.gz VJXABSAVUGLKHJ-LJQANCHMSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137458 559040443 /nfs/dbraw/zinc/04/04/43/559040443.db2.gz VJXABSAVUGLKHJ-LJQANCHMSA-N 2 2 410.566 2.116 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082161992 559041914 /nfs/dbraw/zinc/04/19/14/559041914.db2.gz QBUFIIAUJAEERJ-FQEVSTJZSA-N 2 2 408.550 2.207 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082161992 559041915 /nfs/dbraw/zinc/04/19/15/559041915.db2.gz QBUFIIAUJAEERJ-FQEVSTJZSA-N 2 2 408.550 2.207 50 0 HEAALP O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1C[NH+]1CCSCC1 ZINC000101373908 560793542 /nfs/dbraw/zinc/79/35/42/560793542.db2.gz XGAXYKPSFZEHAN-UHFFFAOYSA-N 2 2 401.532 2.216 50 0 HEAALP CC1(C)CC(Nc2c(=O)c(=O)c2N2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000101700075 560798350 /nfs/dbraw/zinc/79/83/50/560798350.db2.gz SOMVSJKOFXEIOV-UHFFFAOYSA-N 2 2 410.562 2.326 50 0 HEAALP C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000222183620 568514306 /nfs/dbraw/zinc/51/43/06/568514306.db2.gz DFENLKDBZHQQMH-QWFCFKBJSA-N 2 2 418.563 2.194 50 0 HEAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000017012583 569271618 /nfs/dbraw/zinc/27/16/18/569271618.db2.gz ARHSSWNAYDAXQR-UHFFFAOYSA-N 2 2 414.941 2.153 50 0 HEAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCC(=O)NC(C)(C)C ZINC000020018533 558320523 /nfs/dbraw/zinc/32/05/23/558320523.db2.gz GMSYDQAGCNXWAR-UHFFFAOYSA-N 2 2 407.555 2.191 50 0 HEAALP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012993068 558497280 /nfs/dbraw/zinc/49/72/80/558497280.db2.gz SLGKSDDJNIAHOU-FQEVSTJZSA-N 2 2 410.518 2.235 50 0 HEAALP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012993068 558497282 /nfs/dbraw/zinc/49/72/82/558497282.db2.gz SLGKSDDJNIAHOU-FQEVSTJZSA-N 2 2 410.518 2.235 50 0 HEAALP Cc1ccccc1N1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000023642300 558564480 /nfs/dbraw/zinc/56/44/80/558564480.db2.gz XKXQDTLDFIKXSM-UHFFFAOYSA-N 2 2 414.594 2.268 50 0 HEAALP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000024178145 558591305 /nfs/dbraw/zinc/59/13/05/558591305.db2.gz NMQAWEXGIDTQOS-UHFFFAOYSA-N 2 2 408.546 2.167 50 0 HEAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccncc2)C1 ZINC000014755065 558671786 /nfs/dbraw/zinc/67/17/86/558671786.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 2 2 420.517 2.076 50 0 HEAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014755065 558671787 /nfs/dbraw/zinc/67/17/87/558671787.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 2 2 420.517 2.076 50 0 HEAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccncc2)C1 ZINC000014755065 558671791 /nfs/dbraw/zinc/67/17/91/558671791.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 2 2 420.517 2.076 50 0 HEAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014755065 558671793 /nfs/dbraw/zinc/67/17/93/558671793.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 2 2 420.517 2.076 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000082091475 559036952 /nfs/dbraw/zinc/03/69/52/559036952.db2.gz VJABFFZSYNCYPD-HXUWFJFHSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000082091475 559036955 /nfs/dbraw/zinc/03/69/55/559036955.db2.gz VJABFFZSYNCYPD-HXUWFJFHSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000082091478 559037051 /nfs/dbraw/zinc/03/70/51/559037051.db2.gz VJABFFZSYNCYPD-FQEVSTJZSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000082091478 559037053 /nfs/dbraw/zinc/03/70/53/559037053.db2.gz VJABFFZSYNCYPD-FQEVSTJZSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000082091871 559037068 /nfs/dbraw/zinc/03/70/68/559037068.db2.gz GFZVEZMDAWLZMN-FQEVSTJZSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000082091871 559037070 /nfs/dbraw/zinc/03/70/70/559037070.db2.gz GFZVEZMDAWLZMN-FQEVSTJZSA-N 2 2 410.566 2.448 50 0 HEAALP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCO1 ZINC000082121960 559039757 /nfs/dbraw/zinc/03/97/57/559039757.db2.gz JWFSIDUJSBITGU-FQEVSTJZSA-N 2 2 400.567 2.395 50 0 HEAALP CC1(C)CN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCO1 ZINC000082121960 559039759 /nfs/dbraw/zinc/03/97/59/559039759.db2.gz JWFSIDUJSBITGU-FQEVSTJZSA-N 2 2 400.567 2.395 50 0 HEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)CCN2CCCCCC2=O)CC1 ZINC000095383881 559080691 /nfs/dbraw/zinc/08/06/91/559080691.db2.gz XKNHQLOXNOMNCZ-UHFFFAOYSA-N 2 2 403.571 2.334 50 0 HEAALP COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000096137449 559095563 /nfs/dbraw/zinc/09/55/63/559095563.db2.gz HIFCJNUVPWHQAT-FQEVSTJZSA-N 2 2 400.523 2.314 50 0 HEAALP COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000023331648 559170393 /nfs/dbraw/zinc/17/03/93/559170393.db2.gz CQYYLXWVTSGERP-SFHVURJKSA-N 2 2 421.549 2.264 50 0 HEAALP COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000023331648 559170395 /nfs/dbraw/zinc/17/03/95/559170395.db2.gz CQYYLXWVTSGERP-SFHVURJKSA-N 2 2 421.549 2.264 50 0 HEAALP CC[NH+](CC(=O)NCCNC(=O)C[N@@H+](CC)Cc1cccs1)Cc1cccs1 ZINC000006879616 568463229 /nfs/dbraw/zinc/46/32/29/568463229.db2.gz ZGWQTBWIRDDRPN-UHFFFAOYSA-N 2 2 422.620 2.386 50 0 HEAALP CC[NH+](CC(=O)NCCNC(=O)C[N@H+](CC)Cc1cccs1)Cc1cccs1 ZINC000006879616 568463230 /nfs/dbraw/zinc/46/32/30/568463230.db2.gz ZGWQTBWIRDDRPN-UHFFFAOYSA-N 2 2 422.620 2.386 50 0 HEAALP CCc1c[nH+]c(C)nc1NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299764365 568873505 /nfs/dbraw/zinc/87/35/05/568873505.db2.gz UWSPHGBTFPMXRJ-HXUWFJFHSA-N 2 2 401.555 2.109 50 0 HEAALP Cc1[nH+]ccn1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795372 568876179 /nfs/dbraw/zinc/87/61/79/568876179.db2.gz LHTSYFIRSAQOLF-NRFANRHFSA-N 2 2 416.497 2.101 50 0 HEAALP CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000015773286 568998821 /nfs/dbraw/zinc/99/88/21/568998821.db2.gz VGVZYYSLGZSLOD-HSZRJFAPSA-N 2 2 412.578 2.421 50 0 HEAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc4c(c2)OCCO4)C3)CC1 ZINC000015779595 569002050 /nfs/dbraw/zinc/00/20/50/569002050.db2.gz RCXSEENNMOHKLQ-UHFFFAOYSA-N 2 2 409.534 2.338 50 0 HEAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc4c(c2)OCCO4)C3)CC1 ZINC000015779595 569002053 /nfs/dbraw/zinc/00/20/53/569002053.db2.gz RCXSEENNMOHKLQ-UHFFFAOYSA-N 2 2 409.534 2.338 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)[nH+]cn1 ZINC000035598164 569045846 /nfs/dbraw/zinc/04/58/46/569045846.db2.gz DZKNLOYLUUFDME-UHFFFAOYSA-N 2 2 417.267 2.289 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011753937 558272890 /nfs/dbraw/zinc/27/28/90/558272890.db2.gz ZZNTUOOQRLEJED-HXUWFJFHSA-N 2 2 400.523 2.343 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011753937 558272893 /nfs/dbraw/zinc/27/28/93/558272893.db2.gz ZZNTUOOQRLEJED-HXUWFJFHSA-N 2 2 400.523 2.343 50 0 HEAALP CCn1cc[nH+]c1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000011818819 558282179 /nfs/dbraw/zinc/28/21/79/558282179.db2.gz LVQJBHAJUVXUJL-FQEVSTJZSA-N 2 2 405.502 2.063 50 0 HEAALP CCn1cc[nH+]c1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000011818819 558282182 /nfs/dbraw/zinc/28/21/82/558282182.db2.gz LVQJBHAJUVXUJL-FQEVSTJZSA-N 2 2 405.502 2.063 50 0 HEAALP Cc1c(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455139 558368956 /nfs/dbraw/zinc/36/89/56/558368956.db2.gz UWPUJFQOVWLCIS-NRFANRHFSA-N 2 2 411.550 2.239 50 0 HEAALP Cc1c(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455139 558368961 /nfs/dbraw/zinc/36/89/61/558368961.db2.gz UWPUJFQOVWLCIS-NRFANRHFSA-N 2 2 411.550 2.239 50 0 HEAALP O=C(CN1CC[NH+](Cc2ccsc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022799325 558512555 /nfs/dbraw/zinc/51/25/55/558512555.db2.gz MZDHDQAGNSOUKC-UHFFFAOYSA-N 2 2 420.623 2.017 50 0 HEAALP O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023642394 558564567 /nfs/dbraw/zinc/56/45/67/558564567.db2.gz YMFZJHCRVJVHSE-UHFFFAOYSA-N 2 2 418.557 2.099 50 0 HEAALP Cc1cc(N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000028891384 558706629 /nfs/dbraw/zinc/70/66/29/558706629.db2.gz BNIFYPGNMLIVEC-UHFFFAOYSA-N 2 2 416.551 2.220 50 0 HEAALP COc1ccccc1CCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000072308298 558770140 /nfs/dbraw/zinc/77/01/40/558770140.db2.gz OORQROXRCKSOFR-UHFFFAOYSA-N 2 2 410.562 2.388 50 0 HEAALP COc1ccccc1CCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000072308298 558770143 /nfs/dbraw/zinc/77/01/43/558770143.db2.gz OORQROXRCKSOFR-UHFFFAOYSA-N 2 2 410.562 2.388 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039445850 558821336 /nfs/dbraw/zinc/82/13/36/558821336.db2.gz YVMRNPXYEFQNSP-NRFANRHFSA-N 3 2 409.578 2.455 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039445850 558821338 /nfs/dbraw/zinc/82/13/38/558821338.db2.gz YVMRNPXYEFQNSP-NRFANRHFSA-N 3 2 409.578 2.455 50 0 HEAALP Cc1nc2sccn2c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039509469 558821927 /nfs/dbraw/zinc/82/19/27/558821927.db2.gz UPRGFUBZGGLTGV-LJQANCHMSA-N 2 2 405.612 2.446 50 0 HEAALP Cc1nc2sccn2c1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039509469 558821929 /nfs/dbraw/zinc/82/19/29/558821929.db2.gz UPRGFUBZGGLTGV-LJQANCHMSA-N 2 2 405.612 2.446 50 0 HEAALP Cc1nc2sccn2c1CN1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039509469 558821931 /nfs/dbraw/zinc/82/19/31/558821931.db2.gz UPRGFUBZGGLTGV-LJQANCHMSA-N 2 2 405.612 2.446 50 0 HEAALP Cc1nc2sccn2c1CN1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039509469 558821933 /nfs/dbraw/zinc/82/19/33/558821933.db2.gz UPRGFUBZGGLTGV-LJQANCHMSA-N 2 2 405.612 2.446 50 0 HEAALP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)[nH+]cn1 ZINC000082096572 559037366 /nfs/dbraw/zinc/03/73/66/559037366.db2.gz MXSOZOJGZQNIEB-LJQANCHMSA-N 2 2 408.550 2.099 50 0 HEAALP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)[nH+]cn1 ZINC000082096572 559037368 /nfs/dbraw/zinc/03/73/68/559037368.db2.gz MXSOZOJGZQNIEB-LJQANCHMSA-N 2 2 408.550 2.099 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106624 559038228 /nfs/dbraw/zinc/03/82/28/559038228.db2.gz LQKXBDJMACJRRH-JOCHJYFZSA-N 3 2 413.610 2.312 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106624 559038230 /nfs/dbraw/zinc/03/82/30/559038230.db2.gz LQKXBDJMACJRRH-JOCHJYFZSA-N 3 2 413.610 2.312 50 0 HEAALP CCn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107299 559038519 /nfs/dbraw/zinc/03/85/19/559038519.db2.gz PJKWHUABGMTGGW-HXUWFJFHSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107299 559038521 /nfs/dbraw/zinc/03/85/21/559038521.db2.gz PJKWHUABGMTGGW-HXUWFJFHSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1ccnc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082120552 559039355 /nfs/dbraw/zinc/03/93/55/559039355.db2.gz WJJHUMPRTKHNHA-FQEVSTJZSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1ccnc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082120552 559039356 /nfs/dbraw/zinc/03/93/56/559039356.db2.gz WJJHUMPRTKHNHA-FQEVSTJZSA-N 2 2 410.566 2.291 50 0 HEAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448082 568612456 /nfs/dbraw/zinc/61/24/56/568612456.db2.gz LYDHVHRODJSGNP-LJQANCHMSA-N 2 2 415.582 2.415 50 0 HEAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448082 568612457 /nfs/dbraw/zinc/61/24/57/568612457.db2.gz LYDHVHRODJSGNP-LJQANCHMSA-N 2 2 415.582 2.415 50 0 HEAALP C[N@H+](CCN1CCCC1=O)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000083860895 568921360 /nfs/dbraw/zinc/92/13/60/568921360.db2.gz BPBSWETVOXNDIV-IBGZPJMESA-N 2 2 406.958 2.147 50 0 HEAALP C[N@@H+](CCN1CCCC1=O)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000083860895 568921363 /nfs/dbraw/zinc/92/13/63/568921363.db2.gz BPBSWETVOXNDIV-IBGZPJMESA-N 2 2 406.958 2.147 50 0 HEAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000015825191 569011366 /nfs/dbraw/zinc/01/13/66/569011366.db2.gz HMYSMXNDOPPKQP-UHFFFAOYSA-N 2 2 413.501 2.030 50 0 HEAALP Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000575541623 1076333706 /nfs/dbraw/zinc/33/37/06/1076333706.db2.gz HELJBNPEFMIHIA-DLBZAZTESA-N 2 2 424.471 2.168 50 0 HEAALP Cc1nnc([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000575541623 1076333711 /nfs/dbraw/zinc/33/37/11/1076333711.db2.gz HELJBNPEFMIHIA-DLBZAZTESA-N 2 2 424.471 2.168 50 0 HEAALP O[C@H](COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1)C[NH+]1CCOCC1 ZINC000019794879 558284073 /nfs/dbraw/zinc/28/40/73/558284073.db2.gz GTYCTEJGJYXXNQ-QHCPKHFHSA-N 2 2 417.594 2.209 50 0 HEAALP CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000019890130 558302766 /nfs/dbraw/zinc/30/27/66/558302766.db2.gz AJDGTHVZKGEGJG-NRFANRHFSA-N 2 2 415.534 2.152 50 0 HEAALP COc1cccc(C[N@H+](C)Cc2cccs2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012055443 558315635 /nfs/dbraw/zinc/31/56/35/558315635.db2.gz XICGWCXJPZHXSI-GOSISDBHSA-N 2 2 406.548 2.461 50 0 HEAALP COc1cccc(C[N@@H+](C)Cc2cccs2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012055443 558315636 /nfs/dbraw/zinc/31/56/36/558315636.db2.gz XICGWCXJPZHXSI-GOSISDBHSA-N 2 2 406.548 2.461 50 0 HEAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccc(OCCO)cc3)CC2)CC1)N1CCCC1 ZINC000020910198 558422169 /nfs/dbraw/zinc/42/21/69/558422169.db2.gz RLNFAOWNQBEZKL-UHFFFAOYSA-N 2 2 415.578 2.357 50 0 HEAALP COc1ccc(-c2noc(C[N@H+](C)CCCC[NH+]3CCOCC3)n2)c(OC)c1OC ZINC000012480077 558423170 /nfs/dbraw/zinc/42/31/70/558423170.db2.gz FFLWPLDBONJIRP-UHFFFAOYSA-N 2 2 420.510 2.307 50 0 HEAALP COc1ccc(-c2noc(C[N@@H+](C)CCCC[NH+]3CCOCC3)n2)c(OC)c1OC ZINC000012480077 558423173 /nfs/dbraw/zinc/42/31/73/558423173.db2.gz FFLWPLDBONJIRP-UHFFFAOYSA-N 2 2 420.510 2.307 50 0 HEAALP O=C(C[NH+]1CCC(O)CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021581930 558442001 /nfs/dbraw/zinc/44/20/01/558442001.db2.gz ZIFUIUOHUGPUGO-UHFFFAOYSA-N 2 2 408.546 2.404 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022852945 558517165 /nfs/dbraw/zinc/51/71/65/558517165.db2.gz IGBHTUAZWCQBFF-JOCHJYFZSA-N 2 2 413.562 2.281 50 0 HEAALP COc1cccc(C[NH2+]Cc2ccccc2C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015075035 558715475 /nfs/dbraw/zinc/71/54/75/558715475.db2.gz INWBGCHXCZDUOE-OAQYLSRUSA-N 2 2 400.519 2.365 50 0 HEAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)CCC4CCCCC4)CC3)[nH+]cn2)CC1 ZINC000072437677 558981046 /nfs/dbraw/zinc/98/10/46/558981046.db2.gz SIRWOXYAZIEJOJ-UHFFFAOYSA-N 2 2 400.571 2.238 50 0 HEAALP Cc1ccccc1NC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)CC1 ZINC000067629528 558990217 /nfs/dbraw/zinc/99/02/17/558990217.db2.gz QBDNSOGEUGLXQA-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121455 559039571 /nfs/dbraw/zinc/03/95/71/559039571.db2.gz SNJWCRONHAVOIX-FQEVSTJZSA-N 2 2 400.567 2.037 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121455 559039572 /nfs/dbraw/zinc/03/95/72/559039572.db2.gz SNJWCRONHAVOIX-FQEVSTJZSA-N 2 2 400.567 2.037 50 0 HEAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082139191 559040655 /nfs/dbraw/zinc/04/06/55/559040655.db2.gz YVSHVKRFECMLLZ-FQEVSTJZSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082139191 559040656 /nfs/dbraw/zinc/04/06/56/559040656.db2.gz YVSHVKRFECMLLZ-FQEVSTJZSA-N 2 2 410.566 2.448 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082147575 559040810 /nfs/dbraw/zinc/04/08/10/559040810.db2.gz PESWYJVKPYTECH-FQEVSTJZSA-N 2 2 400.567 2.179 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082147575 559040813 /nfs/dbraw/zinc/04/08/13/559040813.db2.gz PESWYJVKPYTECH-FQEVSTJZSA-N 2 2 400.567 2.179 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091548809 559072163 /nfs/dbraw/zinc/07/21/63/559072163.db2.gz QNEZIRQMJSRNLK-JOCHJYFZSA-N 3 2 413.610 2.312 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091548809 559072165 /nfs/dbraw/zinc/07/21/65/559072165.db2.gz QNEZIRQMJSRNLK-JOCHJYFZSA-N 3 2 413.610 2.312 50 0 HEAALP C[NH+](C)[C@@H](CNc1c(=O)c(=O)c1N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000101699594 560798356 /nfs/dbraw/zinc/79/83/56/560798356.db2.gz VPJLMECDYGWJCZ-NRFANRHFSA-N 2 2 418.541 2.320 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036255042 569120266 /nfs/dbraw/zinc/12/02/66/569120266.db2.gz VBHLUDLBURTHMZ-QFIPXVFZSA-N 2 2 418.626 2.482 50 0 HEAALP CC[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccc(C(=O)OC)cc4)no3)CC2)CC1 ZINC000020453918 558367713 /nfs/dbraw/zinc/36/77/13/558367713.db2.gz GDQBPIATRAEGGE-UHFFFAOYSA-N 2 2 413.522 2.125 50 0 HEAALP Cc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c1 ZINC000021795708 558449541 /nfs/dbraw/zinc/44/95/41/558449541.db2.gz XIVWXZCOFNTSHZ-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795722 558449573 /nfs/dbraw/zinc/44/95/73/558449573.db2.gz ANJWLTVQVHIKMV-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014732007 558665624 /nfs/dbraw/zinc/66/56/24/558665624.db2.gz MKRFSYQHXNAESC-GOSISDBHSA-N 2 2 413.541 2.467 50 0 HEAALP Cc1cccc(N2CC[NH+](C[C@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)[nH+]1 ZINC000014980851 558691347 /nfs/dbraw/zinc/69/13/47/558691347.db2.gz LOAUYXLMVPSBLQ-XMMPIXPASA-N 2 2 408.546 2.108 50 0 HEAALP Cc1[nH+]cn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)[nH+]c(C)n2)c1C ZINC000072119285 558927993 /nfs/dbraw/zinc/92/79/93/558927993.db2.gz MWQHVVNRWFKMRU-UHFFFAOYSA-N 2 2 412.519 2.098 50 0 HEAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)[nH+]cn2)CC1 ZINC000072436943 558980240 /nfs/dbraw/zinc/98/02/40/558980240.db2.gz DBJAMHSMRCTCPP-UHFFFAOYSA-N 2 2 416.529 2.344 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[nH+]cn1 ZINC000067622891 558990009 /nfs/dbraw/zinc/99/00/09/558990009.db2.gz UZSXSEAGLYAEGF-UHFFFAOYSA-N 2 2 412.519 2.098 50 0 HEAALP CCn1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097035 559037600 /nfs/dbraw/zinc/03/76/00/559037600.db2.gz JIPPRPZVBAXZSG-FQEVSTJZSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097035 559037601 /nfs/dbraw/zinc/03/76/01/559037601.db2.gz JIPPRPZVBAXZSG-FQEVSTJZSA-N 2 2 410.566 2.291 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082114517 559039080 /nfs/dbraw/zinc/03/90/80/559039080.db2.gz MJOJPBOHRCRELE-HXUWFJFHSA-N 2 2 400.567 2.037 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082114517 559039082 /nfs/dbraw/zinc/03/90/82/559039082.db2.gz MJOJPBOHRCRELE-HXUWFJFHSA-N 2 2 400.567 2.037 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082147311 559040797 /nfs/dbraw/zinc/04/07/97/559040797.db2.gz QPXBENVFVVLVDR-JOCHJYFZSA-N 3 2 413.610 2.360 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082147311 559040799 /nfs/dbraw/zinc/04/07/99/559040799.db2.gz QPXBENVFVVLVDR-JOCHJYFZSA-N 3 2 413.610 2.360 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091643486 559072603 /nfs/dbraw/zinc/07/26/03/559072603.db2.gz TXTLOVIIYQTKMI-HXUWFJFHSA-N 2 2 400.567 2.179 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091643486 559072604 /nfs/dbraw/zinc/07/26/04/559072604.db2.gz TXTLOVIIYQTKMI-HXUWFJFHSA-N 2 2 400.567 2.179 50 0 HEAALP O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000299795672 568876337 /nfs/dbraw/zinc/87/63/37/568876337.db2.gz MIKCOXNTSODMRO-NRFANRHFSA-N 2 2 416.497 2.183 50 0 HEAALP CC[C@](C)(CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162311 568916748 /nfs/dbraw/zinc/91/67/48/568916748.db2.gz ZMKFWSWKFNFETD-JTHBVZDNSA-N 2 2 418.582 2.168 50 0 HEAALP C[NH+]1CCN(c2ccccc2NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000089382793 569058837 /nfs/dbraw/zinc/05/88/37/569058837.db2.gz QTRVALKNWRMIJX-FQEVSTJZSA-N 2 2 414.598 2.072 50 0 HEAALP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2CCOCC2)CC1 ZINC000078972786 569422595 /nfs/dbraw/zinc/42/25/95/569422595.db2.gz FNXBHKZKWSKYRN-ZWKOTPCHSA-N 2 2 407.530 2.205 50 0 HEAALP Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801364 1078770977 /nfs/dbraw/zinc/77/09/77/1078770977.db2.gz FIDLCGKZLDXALM-QZTJIDSGSA-N 2 2 423.483 2.389 50 0 HEAALP Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801364 1078770986 /nfs/dbraw/zinc/77/09/86/1078770986.db2.gz FIDLCGKZLDXALM-QZTJIDSGSA-N 2 2 423.483 2.389 50 0 HEAALP NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032751441 526960438 /nfs/dbraw/zinc/96/04/38/526960438.db2.gz UAQMERLALRIXIF-QFIPXVFZSA-N 2 2 420.557 2.260 50 0 HEAALP NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032751441 526960441 /nfs/dbraw/zinc/96/04/41/526960441.db2.gz UAQMERLALRIXIF-QFIPXVFZSA-N 2 2 420.557 2.260 50 0 HEAALP Cc1cccc(OC[C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])c1 ZINC000000809654 557087157 /nfs/dbraw/zinc/08/71/57/557087157.db2.gz UAKNBDXKLQMIMS-IBGZPJMESA-N 2 2 410.518 2.003 50 0 HEAALP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000011954534 558303283 /nfs/dbraw/zinc/30/32/83/558303283.db2.gz HMDPGXOMKKIJLR-NRFANRHFSA-N 2 2 400.519 2.365 50 0 HEAALP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3csc(C)n3)c2)CC1 ZINC000020782378 558413028 /nfs/dbraw/zinc/41/30/28/558413028.db2.gz VNZZIPLVURRNSP-OAQYLSRUSA-N 2 2 418.607 2.461 50 0 HEAALP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3csc(C)n3)c2)CC1 ZINC000020782378 558413031 /nfs/dbraw/zinc/41/30/31/558413031.db2.gz VNZZIPLVURRNSP-OAQYLSRUSA-N 2 2 418.607 2.461 50 0 HEAALP Cc1nc(CC[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCOCC3)c2)sc1C ZINC000020877520 558419366 /nfs/dbraw/zinc/41/93/66/558419366.db2.gz OSRFZYDZGCEXLX-IBGZPJMESA-N 2 2 405.564 2.164 50 0 HEAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCn4cccn4)c3)CC2)CC1 ZINC000020911586 558422416 /nfs/dbraw/zinc/42/24/16/558422416.db2.gz JDBUUACMJQDLHQ-UHFFFAOYSA-N 2 2 411.550 2.251 50 0 HEAALP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000012714708 558454563 /nfs/dbraw/zinc/45/45/63/558454563.db2.gz GABZKNLAYKTPLS-JOCHJYFZSA-N 2 2 401.551 2.364 50 0 HEAALP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012755440 558460140 /nfs/dbraw/zinc/46/01/40/558460140.db2.gz PVBJOLSUZJCJEM-JOCHJYFZSA-N 2 2 414.546 2.408 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022852947 558517069 /nfs/dbraw/zinc/51/70/69/558517069.db2.gz IGBHTUAZWCQBFF-QFIPXVFZSA-N 2 2 413.562 2.281 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000022919299 558522141 /nfs/dbraw/zinc/52/21/41/558522141.db2.gz DLROBHIQXIQCEP-NRFANRHFSA-N 2 2 417.525 2.111 50 0 HEAALP CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000023153317 558539373 /nfs/dbraw/zinc/53/93/73/558539373.db2.gz LJQHUSYTBSKISA-UHFFFAOYSA-N 2 2 419.957 2.234 50 0 HEAALP Cc1cc(CNC(=O)C2CC[NH+](C3CC[NH+](Cc4cccc(C)n4)CC3)CC2)nn1C ZINC000055107958 558872886 /nfs/dbraw/zinc/87/28/86/558872886.db2.gz UDRBCEGTTQCLFI-UHFFFAOYSA-N 2 2 424.593 2.425 50 0 HEAALP O=C(c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071404004 558897367 /nfs/dbraw/zinc/89/73/67/558897367.db2.gz OUHDTECUPCQQBR-SJDASUONSA-N 2 2 421.545 2.082 50 0 HEAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)COc4ccccc4)CC3)[nH+]c(C)n2)c1C ZINC000072437675 558980866 /nfs/dbraw/zinc/98/08/66/558980866.db2.gz NTMFSIQSVHQZPJ-UHFFFAOYSA-N 2 2 406.490 2.315 50 0 HEAALP Cc1[nH+]cn(-c2cc(NCCNS(=O)(=O)c3ccccc3Cl)[nH+]cn2)c1C ZINC000082230620 559042862 /nfs/dbraw/zinc/04/28/62/559042862.db2.gz XTJLCNJCLXRQNG-UHFFFAOYSA-N 2 2 406.899 2.323 50 0 HEAALP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091462557 559071869 /nfs/dbraw/zinc/07/18/69/559071869.db2.gz XCTHESPGLBMOMO-OAQYLSRUSA-N 3 2 413.610 2.311 50 0 HEAALP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091462557 559071871 /nfs/dbraw/zinc/07/18/71/559071871.db2.gz XCTHESPGLBMOMO-OAQYLSRUSA-N 3 2 413.610 2.311 50 0 HEAALP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)CC1 ZINC000000819245 568496836 /nfs/dbraw/zinc/49/68/36/568496836.db2.gz OUXDISCYRNQQCX-UHFFFAOYSA-N 2 2 405.539 2.089 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000021795726 568753881 /nfs/dbraw/zinc/75/38/81/568753881.db2.gz FEJNHVKZKPNVJB-UHFFFAOYSA-N 2 2 413.501 2.030 50 0 HEAALP CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CC[NH+](CC)CC3)cc2[nH]c1=S ZINC000008661816 571099681 /nfs/dbraw/zinc/09/96/81/571099681.db2.gz OEWLPWKGIXEBBL-UHFFFAOYSA-N 2 2 417.579 2.179 50 0 HEAALP NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032751443 527000022 /nfs/dbraw/zinc/00/00/22/527000022.db2.gz UAQMERLALRIXIF-JOCHJYFZSA-N 2 2 420.557 2.260 50 0 HEAALP NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032751443 527000027 /nfs/dbraw/zinc/00/00/27/527000027.db2.gz UAQMERLALRIXIF-JOCHJYFZSA-N 2 2 420.557 2.260 50 0 HEAALP COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000034682387 557383997 /nfs/dbraw/zinc/38/39/97/557383997.db2.gz PCJQSAQVUPUQNW-UHFFFAOYSA-N 2 2 408.546 2.405 50 0 HEAALP CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000004727890 557587728 /nfs/dbraw/zinc/58/77/28/557587728.db2.gz AJDGTHVZKGEGJG-OAQYLSRUSA-N 2 2 415.534 2.152 50 0 HEAALP OCc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741781 558262237 /nfs/dbraw/zinc/26/22/37/558262237.db2.gz BPDLYGNHKVPCHV-IBGZPJMESA-N 2 2 413.518 2.283 50 0 HEAALP OCc1ccc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741781 558262238 /nfs/dbraw/zinc/26/22/38/558262238.db2.gz BPDLYGNHKVPCHV-IBGZPJMESA-N 2 2 413.518 2.283 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019744331 558264713 /nfs/dbraw/zinc/26/47/13/558264713.db2.gz UKBZDDJXMUEPMS-JOCHJYFZSA-N 2 2 413.562 2.281 50 0 HEAALP Cc1cccn2c(C[NH2+]CCc3cn4ccccc4[nH+]3)c(C(=O)N3CCOCC3)nc12 ZINC000011935461 558299366 /nfs/dbraw/zinc/29/93/66/558299366.db2.gz RAECTRVWLBSONL-UHFFFAOYSA-N 2 2 418.501 2.095 50 0 HEAALP CCOC(=O)N1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000012075066 558319451 /nfs/dbraw/zinc/31/94/51/558319451.db2.gz MKRPKRBDKUHBLF-FQEVSTJZSA-N 2 2 405.539 2.186 50 0 HEAALP O=C(C1CC[NH+](C2CC[NH+](Cc3cccc(OCCO)c3)CC2)CC1)N1CCCC1 ZINC000012300320 558370366 /nfs/dbraw/zinc/37/03/66/558370366.db2.gz JAVBEJNUKWEEHA-UHFFFAOYSA-N 2 2 415.578 2.357 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cccs2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022913788 558520612 /nfs/dbraw/zinc/52/06/12/558520612.db2.gz GBKFNHIEZUGOMQ-LJQANCHMSA-N 2 2 419.591 2.376 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cccs2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022913788 558520614 /nfs/dbraw/zinc/52/06/14/558520614.db2.gz GBKFNHIEZUGOMQ-LJQANCHMSA-N 2 2 419.591 2.376 50 0 HEAALP C[NH+](C)CCNC(=O)c1ccc2cc[nH+]c(N3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000065002579 558968866 /nfs/dbraw/zinc/96/88/66/558968866.db2.gz ZPSKWUJOONIVDO-UHFFFAOYSA-N 2 2 421.501 2.082 50 0 HEAALP CCn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082120551 559039404 /nfs/dbraw/zinc/03/94/04/559039404.db2.gz WJJHUMPRTKHNHA-HXUWFJFHSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1ccnc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082120551 559039406 /nfs/dbraw/zinc/03/94/06/559039406.db2.gz WJJHUMPRTKHNHA-HXUWFJFHSA-N 2 2 410.566 2.291 50 0 HEAALP Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126003 559039834 /nfs/dbraw/zinc/03/98/34/559039834.db2.gz KXELLFINRAMSDB-FQEVSTJZSA-N 2 2 410.566 2.414 50 0 HEAALP Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126003 559039835 /nfs/dbraw/zinc/03/98/35/559039835.db2.gz KXELLFINRAMSDB-FQEVSTJZSA-N 2 2 410.566 2.414 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091872626 559074453 /nfs/dbraw/zinc/07/44/53/559074453.db2.gz BILAHSCMNRHNLC-OAQYLSRUSA-N 3 2 421.589 2.380 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091872626 559074455 /nfs/dbraw/zinc/07/44/55/559074455.db2.gz BILAHSCMNRHNLC-OAQYLSRUSA-N 3 2 421.589 2.380 50 0 HEAALP CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092077011 559075388 /nfs/dbraw/zinc/07/53/88/559075388.db2.gz WWZRQXJGSPCEDV-NRFANRHFSA-N 2 2 410.566 2.182 50 0 HEAALP CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092077011 559075390 /nfs/dbraw/zinc/07/53/90/559075390.db2.gz WWZRQXJGSPCEDV-NRFANRHFSA-N 2 2 410.566 2.182 50 0 HEAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448083 568612376 /nfs/dbraw/zinc/61/23/76/568612376.db2.gz LYDHVHRODJSGNP-IBGZPJMESA-N 2 2 415.582 2.415 50 0 HEAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448083 568612379 /nfs/dbraw/zinc/61/23/79/568612379.db2.gz LYDHVHRODJSGNP-IBGZPJMESA-N 2 2 415.582 2.415 50 0 HEAALP O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)NCCC[NH+]1CCCCC1 ZINC000003045858 568849031 /nfs/dbraw/zinc/84/90/31/568849031.db2.gz HVTGUHCQVDAJLE-NRFANRHFSA-N 2 2 409.534 2.396 50 0 HEAALP O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001179462 557229685 /nfs/dbraw/zinc/22/96/85/557229685.db2.gz WNDBQHRDLSZSFD-UHFFFAOYSA-N 2 2 422.529 2.367 50 0 HEAALP COc1cccc(C[N@H+](C)Cc2cccs2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012055440 558315587 /nfs/dbraw/zinc/31/55/87/558315587.db2.gz XICGWCXJPZHXSI-SFHVURJKSA-N 2 2 406.548 2.461 50 0 HEAALP COc1cccc(C[N@@H+](C)Cc2cccs2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012055440 558315590 /nfs/dbraw/zinc/31/55/90/558315590.db2.gz XICGWCXJPZHXSI-SFHVURJKSA-N 2 2 406.548 2.461 50 0 HEAALP Cc1nc(CC[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCOCC3)c2)sc1C ZINC000020877523 558419325 /nfs/dbraw/zinc/41/93/25/558419325.db2.gz OSRFZYDZGCEXLX-LJQANCHMSA-N 2 2 405.564 2.164 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020999003 558427987 /nfs/dbraw/zinc/42/79/87/558427987.db2.gz RQFWKNXVWFBYGU-HXUWFJFHSA-N 2 2 417.550 2.216 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020999003 558427990 /nfs/dbraw/zinc/42/79/90/558427990.db2.gz RQFWKNXVWFBYGU-HXUWFJFHSA-N 2 2 417.550 2.216 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020999003 558427993 /nfs/dbraw/zinc/42/79/93/558427993.db2.gz RQFWKNXVWFBYGU-HXUWFJFHSA-N 2 2 417.550 2.216 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020999003 558427996 /nfs/dbraw/zinc/42/79/96/558427996.db2.gz RQFWKNXVWFBYGU-HXUWFJFHSA-N 2 2 417.550 2.216 50 0 HEAALP Cc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc[nH+]3)CC2)c1C ZINC000072117723 558927761 /nfs/dbraw/zinc/92/77/61/558927761.db2.gz QGZGWCBOJJRZBE-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP CCc1nnc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082086674 559036765 /nfs/dbraw/zinc/03/67/65/559036765.db2.gz UWMCJAPQEWHQHW-SFHVURJKSA-N 2 2 412.538 2.020 50 0 HEAALP CCc1nnc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082086674 559036767 /nfs/dbraw/zinc/03/67/67/559036767.db2.gz UWMCJAPQEWHQHW-SFHVURJKSA-N 2 2 412.538 2.020 50 0 HEAALP CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099642 559038100 /nfs/dbraw/zinc/03/81/00/559038100.db2.gz JTNIPBAWRZCNFO-OAQYLSRUSA-N 2 2 410.566 2.113 50 0 HEAALP CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099642 559038101 /nfs/dbraw/zinc/03/81/01/559038101.db2.gz JTNIPBAWRZCNFO-OAQYLSRUSA-N 2 2 410.566 2.113 50 0 HEAALP Cc1nc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082160367 559041729 /nfs/dbraw/zinc/04/17/29/559041729.db2.gz HPGOJVARMIGLRZ-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP Cc1nc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082160367 559041730 /nfs/dbraw/zinc/04/17/30/559041730.db2.gz HPGOJVARMIGLRZ-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP OCCC[C@@H]1C[N@H+](Cc2cnn(-c3cccc(F)c3)c2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095366152 559080110 /nfs/dbraw/zinc/08/01/10/559080110.db2.gz PSOHXOJEBSMAFL-KNQAVFIVSA-N 2 2 402.514 2.307 50 0 HEAALP OCCC[C@@H]1C[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095366152 559080111 /nfs/dbraw/zinc/08/01/11/559080111.db2.gz PSOHXOJEBSMAFL-KNQAVFIVSA-N 2 2 402.514 2.307 50 0 HEAALP COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000095500968 559082293 /nfs/dbraw/zinc/08/22/93/559082293.db2.gz YCMNOJIJLZURAP-IBGZPJMESA-N 2 2 403.567 2.129 50 0 HEAALP CN(CC[NH+]1CCCCC1)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000012373242 568517363 /nfs/dbraw/zinc/51/73/63/568517363.db2.gz XJEMLQMTIKCUQO-QHCPKHFHSA-N 2 2 422.573 2.475 50 0 HEAALP CN(CC[NH+]1CCCCC1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000012373242 568517364 /nfs/dbraw/zinc/51/73/64/568517364.db2.gz XJEMLQMTIKCUQO-QHCPKHFHSA-N 2 2 422.573 2.475 50 0 HEAALP CC(C)[N@H+](C)Cc1nnnn1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012763927 568947135 /nfs/dbraw/zinc/94/71/35/568947135.db2.gz MQYLUOWARDUUTJ-HXUWFJFHSA-N 2 2 413.570 2.247 50 0 HEAALP CC(C)[N@@H+](C)Cc1nnnn1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012763927 568947136 /nfs/dbraw/zinc/94/71/36/568947136.db2.gz MQYLUOWARDUUTJ-HXUWFJFHSA-N 2 2 413.570 2.247 50 0 HEAALP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404731 569365928 /nfs/dbraw/zinc/36/59/28/569365928.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404731 569365929 /nfs/dbraw/zinc/36/59/29/569365929.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404731 569365930 /nfs/dbraw/zinc/36/59/30/569365930.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404731 569365931 /nfs/dbraw/zinc/36/59/31/569365931.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 2 2 423.561 2.408 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000021794602 132473246 /nfs/dbraw/zinc/47/32/46/132473246.db2.gz BPKHTRURCJJTHU-UHFFFAOYSA-N 2 2 414.941 2.153 50 0 HEAALP O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012072894 558317985 /nfs/dbraw/zinc/31/79/85/558317985.db2.gz UDMXWWGYEBUVHF-JXMROGBWSA-N 2 2 408.550 2.235 50 0 HEAALP Cc1nc2sccn2c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020235108 558350388 /nfs/dbraw/zinc/35/03/88/558350388.db2.gz UPRGFUBZGGLTGV-IBGZPJMESA-N 2 2 405.612 2.446 50 0 HEAALP Cc1nc2sccn2c1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020235108 558350391 /nfs/dbraw/zinc/35/03/91/558350391.db2.gz UPRGFUBZGGLTGV-IBGZPJMESA-N 2 2 405.612 2.446 50 0 HEAALP Cc1nc2sccn2c1CN1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020235108 558350392 /nfs/dbraw/zinc/35/03/92/558350392.db2.gz UPRGFUBZGGLTGV-IBGZPJMESA-N 2 2 405.612 2.446 50 0 HEAALP Cc1nc2sccn2c1CN1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020235108 558350394 /nfs/dbraw/zinc/35/03/94/558350394.db2.gz UPRGFUBZGGLTGV-IBGZPJMESA-N 2 2 405.612 2.446 50 0 HEAALP O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015856091 558756927 /nfs/dbraw/zinc/75/69/27/558756927.db2.gz LOATWCKZWANGBM-UHFFFAOYSA-N 2 2 422.529 2.367 50 0 HEAALP CC[NH+](CC)CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000019148096 558847109 /nfs/dbraw/zinc/84/71/09/558847109.db2.gz SITJRXGMSWMIKX-FQEVSTJZSA-N 2 2 415.582 2.091 50 0 HEAALP CCc1ccccc1NC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)CC1 ZINC000072119264 558927915 /nfs/dbraw/zinc/92/79/15/558927915.db2.gz KRZHBQVKTXZPPX-UHFFFAOYSA-N 2 2 409.538 2.145 50 0 HEAALP CN(CC[NH+](C)C)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072125701 558928326 /nfs/dbraw/zinc/92/83/26/558928326.db2.gz GQZMZDHDPHXSBX-QFIPXVFZSA-N 2 2 408.546 2.064 50 0 HEAALP CN(CC[NH+](C)C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072125701 558928330 /nfs/dbraw/zinc/92/83/30/558928330.db2.gz GQZMZDHDPHXSBX-QFIPXVFZSA-N 2 2 408.546 2.064 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)[nH+]1 ZINC000072436827 558980043 /nfs/dbraw/zinc/98/00/43/558980043.db2.gz FIRUWFCAWGTDTJ-UHFFFAOYSA-N 2 2 422.577 2.208 50 0 HEAALP Cc1nnsc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109414 559038860 /nfs/dbraw/zinc/03/88/60/559038860.db2.gz QNGSZUVOILBGHH-SFHVURJKSA-N 2 2 414.579 2.234 50 0 HEAALP Cc1nnsc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109414 559038861 /nfs/dbraw/zinc/03/88/61/559038861.db2.gz QNGSZUVOILBGHH-SFHVURJKSA-N 2 2 414.579 2.234 50 0 HEAALP CN(CC1(CO)CCC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082134838 559040026 /nfs/dbraw/zinc/04/00/26/559040026.db2.gz XMBHUAPACZLYPV-NRFANRHFSA-N 2 2 414.594 2.379 50 0 HEAALP CN(CC1(CO)CCC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082134838 559040027 /nfs/dbraw/zinc/04/00/27/559040027.db2.gz XMBHUAPACZLYPV-NRFANRHFSA-N 2 2 414.594 2.379 50 0 HEAALP CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082134836 559040054 /nfs/dbraw/zinc/04/00/54/559040054.db2.gz XMBHUAPACZLYPV-OAQYLSRUSA-N 2 2 414.594 2.379 50 0 HEAALP CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082134836 559040055 /nfs/dbraw/zinc/04/00/55/559040055.db2.gz XMBHUAPACZLYPV-OAQYLSRUSA-N 2 2 414.594 2.379 50 0 HEAALP Cc1ccn(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082136942 559040340 /nfs/dbraw/zinc/04/03/40/559040340.db2.gz MDXUFWJUOONCII-OAQYLSRUSA-N 2 2 410.566 2.079 50 0 HEAALP Cc1ccn(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082136942 559040342 /nfs/dbraw/zinc/04/03/42/559040342.db2.gz MDXUFWJUOONCII-OAQYLSRUSA-N 2 2 410.566 2.079 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082166396 559041991 /nfs/dbraw/zinc/04/19/91/559041991.db2.gz KSPHGHSUGSJJKQ-QFIPXVFZSA-N 3 2 413.610 2.360 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082166396 559041993 /nfs/dbraw/zinc/04/19/93/559041993.db2.gz KSPHGHSUGSJJKQ-QFIPXVFZSA-N 3 2 413.610 2.360 50 0 HEAALP CCc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082166959 559042007 /nfs/dbraw/zinc/04/20/07/559042007.db2.gz DSPYAKVCPIIEPA-GOSISDBHSA-N 2 2 412.538 2.020 50 0 HEAALP CCc1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082166959 559042008 /nfs/dbraw/zinc/04/20/08/559042008.db2.gz DSPYAKVCPIIEPA-GOSISDBHSA-N 2 2 412.538 2.020 50 0 HEAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101407641 560794313 /nfs/dbraw/zinc/79/43/13/560794313.db2.gz DHQOJDDOQDAUGU-UHFFFAOYSA-N 2 2 401.532 2.216 50 0 HEAALP C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000101697507 560798368 /nfs/dbraw/zinc/79/83/68/560798368.db2.gz JOMRNSISCUZZKG-UHFFFAOYSA-N 2 2 410.562 2.281 50 0 HEAALP Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095957702 568669555 /nfs/dbraw/zinc/66/95/55/568669555.db2.gz OSXFUJYMLYUFIR-UHFFFAOYSA-N 2 2 401.555 2.377 50 0 HEAALP CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC[NH+](CC)CC)c2=O ZINC000003043835 568848360 /nfs/dbraw/zinc/84/83/60/568848360.db2.gz XEOZAGUEXDMTIV-UHFFFAOYSA-N 2 2 419.595 2.472 50 0 HEAALP CC(=[NH2+])Nc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000526052646 569239916 /nfs/dbraw/zinc/23/99/16/569239916.db2.gz QXKVLLUPDUXPPS-OAHLLOKOSA-N 2 2 409.494 2.349 50 0 HEAALP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776724 524272545 /nfs/dbraw/zinc/27/25/45/524272545.db2.gz GONKNZNOOPMPBO-UHFFFAOYSA-N 2 2 409.534 2.308 50 0 HEAALP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776724 524272555 /nfs/dbraw/zinc/27/25/55/524272555.db2.gz GONKNZNOOPMPBO-UHFFFAOYSA-N 2 2 409.534 2.308 50 0 HEAALP COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012053779 558315170 /nfs/dbraw/zinc/31/51/70/558315170.db2.gz ZIWGIAOYJLXTHM-NRFANRHFSA-N 2 2 400.519 2.099 50 0 HEAALP Cc1n[nH]c(SCC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000012093194 558324802 /nfs/dbraw/zinc/32/48/02/558324802.db2.gz RDUNDLJCSKYEDO-SFHVURJKSA-N 2 2 405.568 2.221 50 0 HEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)CC1 ZINC000020534203 558385548 /nfs/dbraw/zinc/38/55/48/558385548.db2.gz QRIMPTZRFRETFP-NRFANRHFSA-N 2 2 413.566 2.478 50 0 HEAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)CC1 ZINC000020534203 558385549 /nfs/dbraw/zinc/38/55/49/558385549.db2.gz QRIMPTZRFRETFP-NRFANRHFSA-N 2 2 413.566 2.478 50 0 HEAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)CC1 ZINC000020534203 558385552 /nfs/dbraw/zinc/38/55/52/558385552.db2.gz QRIMPTZRFRETFP-NRFANRHFSA-N 2 2 413.566 2.478 50 0 HEAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)CC1 ZINC000020534203 558385554 /nfs/dbraw/zinc/38/55/54/558385554.db2.gz QRIMPTZRFRETFP-NRFANRHFSA-N 2 2 413.566 2.478 50 0 HEAALP COc1cc(C[N@H+](C)Cc2ccno2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000015078519 558717651 /nfs/dbraw/zinc/71/76/51/558717651.db2.gz CAXGJQJDZRATNA-QGZVFWFLSA-N 2 2 407.536 2.104 50 0 HEAALP COc1cc(C[N@@H+](C)Cc2ccno2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000015078519 558717654 /nfs/dbraw/zinc/71/76/54/558717654.db2.gz CAXGJQJDZRATNA-QGZVFWFLSA-N 2 2 407.536 2.104 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082098003 559037755 /nfs/dbraw/zinc/03/77/55/559037755.db2.gz IIFURDAFTCZTRX-OAQYLSRUSA-N 2 2 414.594 2.427 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082098003 559037757 /nfs/dbraw/zinc/03/77/57/559037757.db2.gz IIFURDAFTCZTRX-OAQYLSRUSA-N 2 2 414.594 2.427 50 0 HEAALP CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000082107581 559038392 /nfs/dbraw/zinc/03/83/92/559038392.db2.gz CZTPZQUGKDPKAO-OAQYLSRUSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000082107581 559038393 /nfs/dbraw/zinc/03/83/93/559038393.db2.gz CZTPZQUGKDPKAO-OAQYLSRUSA-N 2 2 410.566 2.291 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082108926 559038835 /nfs/dbraw/zinc/03/88/35/559038835.db2.gz RNADMWGTXSVOKW-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082108926 559038836 /nfs/dbraw/zinc/03/88/36/559038836.db2.gz RNADMWGTXSVOKW-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160400 559041789 /nfs/dbraw/zinc/04/17/89/559041789.db2.gz MOISYXIAJMNARD-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1c(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160400 559041790 /nfs/dbraw/zinc/04/17/90/559041790.db2.gz MOISYXIAJMNARD-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP CN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1 ZINC000091270515 559070866 /nfs/dbraw/zinc/07/08/66/559070866.db2.gz KIQZOCWMRIKZFR-OAQYLSRUSA-N 3 2 413.610 2.311 50 0 HEAALP CN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1 ZINC000091270515 559070868 /nfs/dbraw/zinc/07/08/68/559070868.db2.gz KIQZOCWMRIKZFR-OAQYLSRUSA-N 3 2 413.610 2.311 50 0 HEAALP O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000299795689 568876301 /nfs/dbraw/zinc/87/63/01/568876301.db2.gz MIKCOXNTSODMRO-OAQYLSRUSA-N 2 2 416.497 2.183 50 0 HEAALP Cc1[nH+]cc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1C ZINC000426582806 569073505 /nfs/dbraw/zinc/07/35/05/569073505.db2.gz KKKJDIQJKWALCR-NRFANRHFSA-N 2 2 416.497 2.138 50 0 HEAALP O=C(N[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799393 1078769431 /nfs/dbraw/zinc/76/94/31/1078769431.db2.gz WSXUELIMXLBEPF-FYYLOGMGSA-N 2 2 408.546 2.159 50 0 HEAALP O=C(N[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799393 1078769437 /nfs/dbraw/zinc/76/94/37/1078769437.db2.gz WSXUELIMXLBEPF-FYYLOGMGSA-N 2 2 408.546 2.159 50 0 HEAALP C[NH+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000042920516 524056394 /nfs/dbraw/zinc/05/63/94/524056394.db2.gz OZYBMRZTWFLCME-UHFFFAOYSA-N 2 2 414.529 2.298 50 0 HEAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCC(=O)NC1CCCCC1 ZINC000020064308 558330339 /nfs/dbraw/zinc/33/03/39/558330339.db2.gz NPGUUTSHNFESGQ-UHFFFAOYSA-N 2 2 419.566 2.335 50 0 HEAALP c1cnn(CCC[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374520 558554172 /nfs/dbraw/zinc/55/41/72/558554172.db2.gz JFEPOOICANOCSS-OAQYLSRUSA-N 2 2 411.550 2.284 50 0 HEAALP c1cnn(CCC[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374520 558554174 /nfs/dbraw/zinc/55/41/74/558554174.db2.gz JFEPOOICANOCSS-OAQYLSRUSA-N 2 2 411.550 2.284 50 0 HEAALP CC[NH+](CC)CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000019148099 558847114 /nfs/dbraw/zinc/84/71/14/558847114.db2.gz SITJRXGMSWMIKX-HXUWFJFHSA-N 2 2 415.582 2.091 50 0 HEAALP Cc1nn(C)cc1CNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000019226726 558852851 /nfs/dbraw/zinc/85/28/51/558852851.db2.gz POEGBFMEBJGGSV-UHFFFAOYSA-N 2 2 424.593 2.425 50 0 HEAALP CC(C)CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071405709 558897685 /nfs/dbraw/zinc/89/76/85/558897685.db2.gz YLENJRYMBBYWGA-NRFANRHFSA-N 2 2 402.583 2.235 50 0 HEAALP CC(C)CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071405709 558897686 /nfs/dbraw/zinc/89/76/86/558897686.db2.gz YLENJRYMBBYWGA-NRFANRHFSA-N 2 2 402.583 2.235 50 0 HEAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)[nH+]cn2)CC1 ZINC000072437645 558981020 /nfs/dbraw/zinc/98/10/20/558981020.db2.gz RRHIZBRGOXIUMH-UHFFFAOYSA-N 2 2 422.577 2.488 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]cn1 ZINC000067603812 558988236 /nfs/dbraw/zinc/98/82/36/558988236.db2.gz KSVLIGDFDJFQHR-UHFFFAOYSA-N 2 2 416.441 2.040 50 0 HEAALP O=C(NCc1cnc2ccccc2c1)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)[nH]c1=O ZINC000077354635 559002169 /nfs/dbraw/zinc/00/21/69/559002169.db2.gz BJWJAKOVTSLANA-UXHICEINSA-N 2 2 417.513 2.179 50 0 HEAALP O=C(NCc1cnc2ccccc2c1)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)[nH]c1=O ZINC000077354635 559002170 /nfs/dbraw/zinc/00/21/70/559002170.db2.gz BJWJAKOVTSLANA-UXHICEINSA-N 2 2 417.513 2.179 50 0 HEAALP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)[nH+]cn1 ZINC000082096573 559037338 /nfs/dbraw/zinc/03/73/38/559037338.db2.gz MXSOZOJGZQNIEB-IBGZPJMESA-N 2 2 408.550 2.099 50 0 HEAALP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)[nH+]cn1 ZINC000082096573 559037339 /nfs/dbraw/zinc/03/73/39/559037339.db2.gz MXSOZOJGZQNIEB-IBGZPJMESA-N 2 2 408.550 2.099 50 0 HEAALP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C ZINC000082098379 559037964 /nfs/dbraw/zinc/03/79/64/559037964.db2.gz YCDMGTXOVKOOMT-IBGZPJMESA-N 2 2 410.566 2.116 50 0 HEAALP Cc1c(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C ZINC000082098379 559037965 /nfs/dbraw/zinc/03/79/65/559037965.db2.gz YCDMGTXOVKOOMT-IBGZPJMESA-N 2 2 410.566 2.116 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121456 559039547 /nfs/dbraw/zinc/03/95/47/559039547.db2.gz SNJWCRONHAVOIX-HXUWFJFHSA-N 2 2 400.567 2.037 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121456 559039548 /nfs/dbraw/zinc/03/95/48/559039548.db2.gz SNJWCRONHAVOIX-HXUWFJFHSA-N 2 2 400.567 2.037 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)o1 ZINC000082126511 559039865 /nfs/dbraw/zinc/03/98/65/559039865.db2.gz XCOTYBUEEWBADC-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)o1 ZINC000082126511 559039866 /nfs/dbraw/zinc/03/98/66/559039866.db2.gz XCOTYBUEEWBADC-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP C[C@@H](C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000096013618 568685396 /nfs/dbraw/zinc/68/53/96/568685396.db2.gz PKKLOEZGSQXPHV-LJQANCHMSA-N 2 2 402.564 2.002 50 0 HEAALP O=C(C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)NCCC[NH+]1CCCCC1 ZINC000003045854 568849061 /nfs/dbraw/zinc/84/90/61/568849061.db2.gz HVTGUHCQVDAJLE-OAQYLSRUSA-N 2 2 409.534 2.396 50 0 HEAALP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000079464798 569431217 /nfs/dbraw/zinc/43/12/17/569431217.db2.gz AAGHMISKDABIAB-UHFFFAOYSA-N 2 2 411.550 2.184 50 0 HEAALP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC000040111538 571169703 /nfs/dbraw/zinc/16/97/03/571169703.db2.gz KEOZJCJIIGYKJO-UHFFFAOYSA-N 2 2 417.513 2.249 50 0 HEAALP CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccco4)CC3)C2)CC1 ZINC000019743545 558264209 /nfs/dbraw/zinc/26/42/09/558264209.db2.gz QDLXDDUZBVDRMU-FQEVSTJZSA-N 2 2 404.555 2.483 50 0 HEAALP CCOC(=O)N1CCN([C@H]2CCC[N@H+](C3CC[NH+](Cc4ccco4)CC3)C2)CC1 ZINC000019743545 558264212 /nfs/dbraw/zinc/26/42/12/558264212.db2.gz QDLXDDUZBVDRMU-FQEVSTJZSA-N 2 2 404.555 2.483 50 0 HEAALP C[N@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269785 /nfs/dbraw/zinc/26/97/85/558269785.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 2 2 405.546 2.436 50 0 HEAALP C[N@@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269788 /nfs/dbraw/zinc/26/97/88/558269788.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 2 2 405.546 2.436 50 0 HEAALP C[NH+](CCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269791 /nfs/dbraw/zinc/26/97/91/558269791.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 2 2 405.546 2.436 50 0 HEAALP C[NH+](CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269794 /nfs/dbraw/zinc/26/97/94/558269794.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 2 2 405.546 2.436 50 0 HEAALP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cn2cc[nH+]c2)C1 ZINC000011816567 558279989 /nfs/dbraw/zinc/27/99/89/558279989.db2.gz FOBVDXBVNCGBGD-HXUWFJFHSA-N 3 2 413.566 2.194 50 0 HEAALP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cn2cc[nH+]c2)C1 ZINC000011816567 558279993 /nfs/dbraw/zinc/27/99/93/558279993.db2.gz FOBVDXBVNCGBGD-HXUWFJFHSA-N 3 2 413.566 2.194 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cccs2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000022913782 558520528 /nfs/dbraw/zinc/52/05/28/558520528.db2.gz GBKFNHIEZUGOMQ-IBGZPJMESA-N 2 2 419.591 2.376 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cccs2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000022913782 558520530 /nfs/dbraw/zinc/52/05/30/558520530.db2.gz GBKFNHIEZUGOMQ-IBGZPJMESA-N 2 2 419.591 2.376 50 0 HEAALP CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014973310 558688457 /nfs/dbraw/zinc/68/84/57/558688457.db2.gz RPMSETUUXVDSDQ-LJQANCHMSA-N 2 2 400.567 2.145 50 0 HEAALP CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014973310 558688461 /nfs/dbraw/zinc/68/84/61/558688461.db2.gz RPMSETUUXVDSDQ-LJQANCHMSA-N 2 2 400.567 2.145 50 0 HEAALP Cc1ncsc1CCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000015067060 558709910 /nfs/dbraw/zinc/70/99/10/558709910.db2.gz YIYMCRPWOYYOER-IBGZPJMESA-N 2 2 405.564 2.246 50 0 HEAALP COc1cccc(C[NH2+]CCCc2ccccc2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015071458 558713235 /nfs/dbraw/zinc/71/32/35/558713235.db2.gz USEZCRVERKPEJZ-JOCHJYFZSA-N 2 2 414.546 2.490 50 0 HEAALP COc1cc(C[N@H+](C)Cc2ccno2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015078516 558717613 /nfs/dbraw/zinc/71/76/13/558717613.db2.gz CAXGJQJDZRATNA-KRWDZBQOSA-N 2 2 407.536 2.104 50 0 HEAALP COc1cc(C[N@@H+](C)Cc2ccno2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015078516 558717616 /nfs/dbraw/zinc/71/76/16/558717616.db2.gz CAXGJQJDZRATNA-KRWDZBQOSA-N 2 2 407.536 2.104 50 0 HEAALP COCC1CC[NH+](Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)CC1 ZINC000019608332 558946627 /nfs/dbraw/zinc/94/66/27/558946627.db2.gz BJEADPQRCQQUDV-UHFFFAOYSA-N 2 2 405.568 2.032 50 0 HEAALP COCC1CC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)CC1 ZINC000019608332 558946628 /nfs/dbraw/zinc/94/66/28/558946628.db2.gz BJEADPQRCQQUDV-UHFFFAOYSA-N 2 2 405.568 2.032 50 0 HEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092329 559037130 /nfs/dbraw/zinc/03/71/30/559037130.db2.gz NWPDLMUJWSZULM-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092329 559037132 /nfs/dbraw/zinc/03/71/32/559037132.db2.gz NWPDLMUJWSZULM-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108007 559038537 /nfs/dbraw/zinc/03/85/37/559038537.db2.gz ZTXUERZRKGFQCK-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108007 559038539 /nfs/dbraw/zinc/03/85/39/559038539.db2.gz ZTXUERZRKGFQCK-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP COCC1(N(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082108601 559038599 /nfs/dbraw/zinc/03/85/99/559038599.db2.gz IYQRYSKOEDXMNR-HXUWFJFHSA-N 2 2 400.567 2.395 50 0 HEAALP COCC1(N(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082108601 559038600 /nfs/dbraw/zinc/03/86/00/559038600.db2.gz IYQRYSKOEDXMNR-HXUWFJFHSA-N 2 2 400.567 2.395 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082108927 559038843 /nfs/dbraw/zinc/03/88/43/559038843.db2.gz RNADMWGTXSVOKW-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082108927 559038844 /nfs/dbraw/zinc/03/88/44/559038844.db2.gz RNADMWGTXSVOKW-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082161990 559041880 /nfs/dbraw/zinc/04/18/80/559041880.db2.gz QBUFIIAUJAEERJ-HXUWFJFHSA-N 2 2 408.550 2.207 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082161990 559041881 /nfs/dbraw/zinc/04/18/81/559041881.db2.gz QBUFIIAUJAEERJ-HXUWFJFHSA-N 2 2 408.550 2.207 50 0 HEAALP COc1cccc(C[N@H+](C)Cc2ccncc2C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000096416630 559110204 /nfs/dbraw/zinc/11/02/04/559110204.db2.gz HSCBFPGVXRJLJT-OAQYLSRUSA-N 2 2 415.534 2.103 50 0 HEAALP COc1cccc(C[N@@H+](C)Cc2ccncc2C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000096416630 559110206 /nfs/dbraw/zinc/11/02/06/559110206.db2.gz HSCBFPGVXRJLJT-OAQYLSRUSA-N 2 2 415.534 2.103 50 0 HEAALP COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000023331646 559170459 /nfs/dbraw/zinc/17/04/59/559170459.db2.gz CQYYLXWVTSGERP-GOSISDBHSA-N 2 2 421.549 2.264 50 0 HEAALP COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000023331646 559170461 /nfs/dbraw/zinc/17/04/61/559170461.db2.gz CQYYLXWVTSGERP-GOSISDBHSA-N 2 2 421.549 2.264 50 0 HEAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118867 559247417 /nfs/dbraw/zinc/24/74/17/559247417.db2.gz FWHDRWBJYMHNFX-PZJWPPBQSA-N 2 2 409.530 2.491 50 0 HEAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118867 559247419 /nfs/dbraw/zinc/24/74/19/559247419.db2.gz FWHDRWBJYMHNFX-PZJWPPBQSA-N 2 2 409.530 2.491 50 0 HEAALP C[NH+](C)[C@H](CNc1c(=O)c(=O)c1N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000101699597 560798385 /nfs/dbraw/zinc/79/83/85/560798385.db2.gz VPJLMECDYGWJCZ-OAQYLSRUSA-N 2 2 418.541 2.320 50 0 HEAALP Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)n2)n1 ZINC000049411619 568450200 /nfs/dbraw/zinc/45/02/00/568450200.db2.gz JXKLXKCWIWLQKR-UHFFFAOYSA-N 2 2 411.554 2.098 50 0 HEAALP Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(CC[NH+]2CCOCC2)c1=[NH2+] ZINC000000809649 568487533 /nfs/dbraw/zinc/48/75/33/568487533.db2.gz BNLJCHZXULDCKX-IBGZPJMESA-N 2 2 410.518 2.003 50 0 HEAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CC[C@@H]([NH+](C)C)C4)CC3)CC2)n1 ZINC000055153633 569391469 /nfs/dbraw/zinc/39/14/69/569391469.db2.gz KEVAWTFLFXTJAD-HSZRJFAPSA-N 3 2 413.610 2.229 50 0 HEAALP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000007349243 132323912 /nfs/dbraw/zinc/32/39/12/132323912.db2.gz UIDCMQDULHCGJM-FQEVSTJZSA-N 2 2 408.546 2.420 50 0 HEAALP Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000032776726 524588670 /nfs/dbraw/zinc/58/86/70/524588670.db2.gz XIUFCIPVKNOTKE-UHFFFAOYSA-N 2 2 409.534 2.308 50 0 HEAALP Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000032776726 524588675 /nfs/dbraw/zinc/58/86/75/524588675.db2.gz XIUFCIPVKNOTKE-UHFFFAOYSA-N 2 2 409.534 2.308 50 0 HEAALP CCc1ccccc1NC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)CC1 ZINC000033318606 558782272 /nfs/dbraw/zinc/78/22/72/558782272.db2.gz GTDQXMFCYSUUOR-UHFFFAOYSA-N 2 2 423.565 2.453 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH+]cn1 ZINC000067613102 558989068 /nfs/dbraw/zinc/98/90/68/558989068.db2.gz IDTXIKMNJNMGFV-UHFFFAOYSA-N 2 2 401.474 2.343 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000082091869 559037196 /nfs/dbraw/zinc/03/71/96/559037196.db2.gz GFZVEZMDAWLZMN-HXUWFJFHSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000082091869 559037197 /nfs/dbraw/zinc/03/71/97/559037197.db2.gz GFZVEZMDAWLZMN-HXUWFJFHSA-N 2 2 410.566 2.448 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106949 559038337 /nfs/dbraw/zinc/03/83/37/559038337.db2.gz TYSPHVSLJCVNKE-HXUWFJFHSA-N 2 2 402.583 2.235 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106949 559038339 /nfs/dbraw/zinc/03/83/39/559038339.db2.gz TYSPHVSLJCVNKE-HXUWFJFHSA-N 2 2 402.583 2.235 50 0 HEAALP Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126000 559039812 /nfs/dbraw/zinc/03/98/12/559039812.db2.gz KXELLFINRAMSDB-HXUWFJFHSA-N 2 2 410.566 2.414 50 0 HEAALP Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126000 559039813 /nfs/dbraw/zinc/03/98/13/559039813.db2.gz KXELLFINRAMSDB-HXUWFJFHSA-N 2 2 410.566 2.414 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092062095 559075294 /nfs/dbraw/zinc/07/52/94/559075294.db2.gz MKRAQPMZZCNZEI-HXUWFJFHSA-N 2 2 408.550 2.207 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092062095 559075296 /nfs/dbraw/zinc/07/52/96/559075296.db2.gz MKRAQPMZZCNZEI-HXUWFJFHSA-N 2 2 408.550 2.207 50 0 HEAALP COc1ccc(Br)cc1C[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000095532325 559087253 /nfs/dbraw/zinc/08/72/53/559087253.db2.gz SUYABQVCTHBAHN-UHFFFAOYSA-N 2 2 412.372 2.032 50 0 HEAALP [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1)OCCCO4 ZINC000012547322 568850815 /nfs/dbraw/zinc/85/08/15/568850815.db2.gz XGTVOCRTUNZODO-IBGZPJMESA-N 2 2 401.430 2.480 50 0 HEAALP COc1cccc(OC)c1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104406434 569008475 /nfs/dbraw/zinc/00/84/75/569008475.db2.gz WPFATBLXOKXAKK-HXUWFJFHSA-N 2 2 405.583 2.445 50 0 HEAALP COc1cccc(OC)c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104406434 569008476 /nfs/dbraw/zinc/00/84/76/569008476.db2.gz WPFATBLXOKXAKK-HXUWFJFHSA-N 2 2 405.583 2.445 50 0 HEAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCO[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426396048 569072649 /nfs/dbraw/zinc/07/26/49/569072649.db2.gz XUQBZIZVKIVZDU-QGZVFWFLSA-N 2 2 400.548 2.064 50 0 HEAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCO[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426396048 569072650 /nfs/dbraw/zinc/07/26/50/569072650.db2.gz XUQBZIZVKIVZDU-QGZVFWFLSA-N 2 2 400.548 2.064 50 0 HEAALP CCCC[NH+]1CCN(C(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)CC1 ZINC000065239820 569203483 /nfs/dbraw/zinc/20/34/83/569203483.db2.gz SIHOYOWPVAWLTE-UHFFFAOYSA-N 2 2 411.554 2.457 50 0 HEAALP C[N@@H+]1CCc2c(sc3nc(N4CC[NH2+]CC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000002425709 132254442 /nfs/dbraw/zinc/25/44/42/132254442.db2.gz PVKDTQQYRULVES-UHFFFAOYSA-N 2 2 415.950 2.498 50 0 HEAALP C[N@H+]1CCc2c(sc3nc(N4CC[NH2+]CC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000002425709 132254443 /nfs/dbraw/zinc/25/44/43/132254443.db2.gz PVKDTQQYRULVES-UHFFFAOYSA-N 2 2 415.950 2.498 50 0 HEAALP COCc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)o1 ZINC000011774883 558274745 /nfs/dbraw/zinc/27/47/45/558274745.db2.gz AXOOKWQSJKXOML-FQEVSTJZSA-N 2 2 419.566 2.398 50 0 HEAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019899527 558304817 /nfs/dbraw/zinc/30/48/17/558304817.db2.gz ZRXWWPWDHIPZAG-SFTDATJTSA-N 2 2 420.513 2.211 50 0 HEAALP COCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)o1 ZINC000020775270 558411677 /nfs/dbraw/zinc/41/16/77/558411677.db2.gz XKZAJSHABADSBZ-DNQXCXABSA-N 2 2 413.562 2.222 50 0 HEAALP COCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)o1 ZINC000020775270 558411680 /nfs/dbraw/zinc/41/16/80/558411680.db2.gz XKZAJSHABADSBZ-DNQXCXABSA-N 2 2 413.562 2.222 50 0 HEAALP CC1CC[NH+](Cc2nnnn2CCCC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000012443839 558413069 /nfs/dbraw/zinc/41/30/69/558413069.db2.gz PUBKHCKZXPSZPY-UHFFFAOYSA-N 2 2 405.591 2.018 50 0 HEAALP COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012468862 558421271 /nfs/dbraw/zinc/42/12/71/558421271.db2.gz WQEPHWZSFMLQOK-HXUWFJFHSA-N 2 2 404.482 2.196 50 0 HEAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000021846951 558452306 /nfs/dbraw/zinc/45/23/06/558452306.db2.gz OVWUHJILIZCJOA-HXUWFJFHSA-N 2 2 408.546 2.247 50 0 HEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014732003 558665594 /nfs/dbraw/zinc/66/55/94/558665594.db2.gz MKRFSYQHXNAESC-SFHVURJKSA-N 2 2 413.541 2.467 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039445849 558821252 /nfs/dbraw/zinc/82/12/52/558821252.db2.gz YVMRNPXYEFQNSP-OAQYLSRUSA-N 3 2 409.578 2.455 50 0 HEAALP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039445849 558821254 /nfs/dbraw/zinc/82/12/54/558821254.db2.gz YVMRNPXYEFQNSP-OAQYLSRUSA-N 3 2 409.578 2.455 50 0 HEAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000082107132 559038272 /nfs/dbraw/zinc/03/82/72/559038272.db2.gz UOEUYIAUMVZHMQ-GOSISDBHSA-N 2 2 412.534 2.160 50 0 HEAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000082107132 559038273 /nfs/dbraw/zinc/03/82/73/559038273.db2.gz UOEUYIAUMVZHMQ-GOSISDBHSA-N 2 2 412.534 2.160 50 0 HEAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118868 559247440 /nfs/dbraw/zinc/24/74/40/559247440.db2.gz FWHDRWBJYMHNFX-TZIWHRDSSA-N 2 2 409.530 2.491 50 0 HEAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118868 559247442 /nfs/dbraw/zinc/24/74/42/559247442.db2.gz FWHDRWBJYMHNFX-TZIWHRDSSA-N 2 2 409.530 2.491 50 0 HEAALP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877868 568922235 /nfs/dbraw/zinc/92/22/35/568922235.db2.gz OLMQEBSYORSISS-QGZVFWFLSA-N 2 2 423.355 2.016 50 0 HEAALP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877868 568922238 /nfs/dbraw/zinc/92/22/38/568922238.db2.gz OLMQEBSYORSISS-QGZVFWFLSA-N 2 2 423.355 2.016 50 0 HEAALP C[C@@H]([NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000012750955 568940500 /nfs/dbraw/zinc/94/05/00/568940500.db2.gz QKEPQRFZCVHLOH-LJQANCHMSA-N 2 2 408.546 2.257 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]cn1 ZINC000035598104 569045892 /nfs/dbraw/zinc/04/58/92/569045892.db2.gz KKAFUHQOSMOTIL-UHFFFAOYSA-N 2 2 418.910 2.135 50 0 HEAALP CCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)cc1 ZINC000035598101 569045901 /nfs/dbraw/zinc/04/59/01/569045901.db2.gz ONZKATMAOHVOET-UHFFFAOYSA-N 2 2 412.519 2.044 50 0 HEAALP Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cnn1C ZINC000011763858 132350329 /nfs/dbraw/zinc/35/03/29/132350329.db2.gz HKNBIWNZJXPZCS-HXUWFJFHSA-N 2 2 410.566 2.465 50 0 HEAALP Cc1c(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cnn1C ZINC000011763858 132350332 /nfs/dbraw/zinc/35/03/32/132350332.db2.gz HKNBIWNZJXPZCS-HXUWFJFHSA-N 2 2 410.566 2.465 50 0 HEAALP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000004744851 557591714 /nfs/dbraw/zinc/59/17/14/557591714.db2.gz UEMHXSNZQCJLMS-HNNXBMFYSA-N 2 2 410.356 2.444 50 0 HEAALP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000004744851 557591716 /nfs/dbraw/zinc/59/17/16/557591716.db2.gz UEMHXSNZQCJLMS-HNNXBMFYSA-N 2 2 410.356 2.444 50 0 HEAALP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cn2cc[nH+]c2)C1 ZINC000011816568 558280003 /nfs/dbraw/zinc/28/00/03/558280003.db2.gz FOBVDXBVNCGBGD-FQEVSTJZSA-N 3 2 413.566 2.194 50 0 HEAALP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cn2cc[nH+]c2)C1 ZINC000011816568 558280007 /nfs/dbraw/zinc/28/00/07/558280007.db2.gz FOBVDXBVNCGBGD-FQEVSTJZSA-N 3 2 413.566 2.194 50 0 HEAALP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3csc(C)n3)c2)CC1 ZINC000019791439 558282839 /nfs/dbraw/zinc/28/28/39/558282839.db2.gz IOMVEAWMHWXQQZ-FQEVSTJZSA-N 2 2 404.580 2.119 50 0 HEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3csc(C)n3)c2)CC1 ZINC000019791439 558282842 /nfs/dbraw/zinc/28/28/42/558282842.db2.gz IOMVEAWMHWXQQZ-FQEVSTJZSA-N 2 2 404.580 2.119 50 0 HEAALP COc1cc(C[NH2+]CCc2cccs2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011873058 558290984 /nfs/dbraw/zinc/29/09/84/558290984.db2.gz PTGAMMDZJBIMND-GOSISDBHSA-N 2 2 406.548 2.161 50 0 HEAALP COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012053781 558315096 /nfs/dbraw/zinc/31/50/96/558315096.db2.gz ZIWGIAOYJLXTHM-OAQYLSRUSA-N 2 2 400.519 2.099 50 0 HEAALP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000012714703 558454686 /nfs/dbraw/zinc/45/46/86/558454686.db2.gz GABZKNLAYKTPLS-QFIPXVFZSA-N 2 2 401.551 2.364 50 0 HEAALP Cc1cc(N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC000013693138 558574606 /nfs/dbraw/zinc/57/46/06/558574606.db2.gz ANTWSRFHRDFNKO-UHFFFAOYSA-N 2 2 413.591 2.262 50 0 HEAALP Cc1ncsc1CCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000015067062 558709888 /nfs/dbraw/zinc/70/98/88/558709888.db2.gz YIYMCRPWOYYOER-LJQANCHMSA-N 2 2 405.564 2.246 50 0 HEAALP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015070156 558712387 /nfs/dbraw/zinc/71/23/87/558712387.db2.gz WRFCCCNVMCRBJP-OAQYLSRUSA-N 2 2 400.519 2.365 50 0 HEAALP CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CC[NH+](CC)CC4)c(C)c32)CC1 ZINC000033048391 558885808 /nfs/dbraw/zinc/88/58/08/558885808.db2.gz LSOYVDNKVNCPLM-UHFFFAOYSA-N 2 2 416.595 2.309 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082114514 559039010 /nfs/dbraw/zinc/03/90/10/559039010.db2.gz MJOJPBOHRCRELE-FQEVSTJZSA-N 2 2 400.567 2.037 50 0 HEAALP O=C(NCC1(CO)CCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082114514 559039012 /nfs/dbraw/zinc/03/90/12/559039012.db2.gz MJOJPBOHRCRELE-FQEVSTJZSA-N 2 2 400.567 2.037 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137457 559040525 /nfs/dbraw/zinc/04/05/25/559040525.db2.gz VJXABSAVUGLKHJ-IBGZPJMESA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137457 559040527 /nfs/dbraw/zinc/04/05/27/559040527.db2.gz VJXABSAVUGLKHJ-IBGZPJMESA-N 2 2 410.566 2.116 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082167372 559042215 /nfs/dbraw/zinc/04/22/15/559042215.db2.gz JXVIQJGNYJNJAA-OAQYLSRUSA-N 2 2 414.594 2.427 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082167372 559042216 /nfs/dbraw/zinc/04/22/16/559042216.db2.gz JXVIQJGNYJNJAA-OAQYLSRUSA-N 2 2 414.594 2.427 50 0 HEAALP C[C@H]([NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000012750961 568940616 /nfs/dbraw/zinc/94/06/16/568940616.db2.gz QKEPQRFZCVHLOH-IBGZPJMESA-N 2 2 408.546 2.257 50 0 HEAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012316 569271621 /nfs/dbraw/zinc/27/16/21/569271621.db2.gz UWEWJFUHWVSPHN-UHFFFAOYSA-N 2 2 414.941 2.153 50 0 HEAALP O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007362305 132324110 /nfs/dbraw/zinc/32/41/10/132324110.db2.gz SFRMOKHVQRZSTE-LJQANCHMSA-N 2 2 408.502 2.339 50 0 HEAALP O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007362305 132324112 /nfs/dbraw/zinc/32/41/12/132324112.db2.gz SFRMOKHVQRZSTE-LJQANCHMSA-N 2 2 408.502 2.339 50 0 HEAALP Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cnn1C ZINC000011763868 132350298 /nfs/dbraw/zinc/35/02/98/132350298.db2.gz HKNBIWNZJXPZCS-FQEVSTJZSA-N 2 2 410.566 2.465 50 0 HEAALP Cc1c(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cnn1C ZINC000011763868 132350300 /nfs/dbraw/zinc/35/03/00/132350300.db2.gz HKNBIWNZJXPZCS-FQEVSTJZSA-N 2 2 410.566 2.465 50 0 HEAALP C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000012719031 132366166 /nfs/dbraw/zinc/36/61/66/132366166.db2.gz YQEACOUVNGXZHQ-HXUWFJFHSA-N 2 2 408.550 2.294 50 0 HEAALP C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000012719031 132366167 /nfs/dbraw/zinc/36/61/67/132366167.db2.gz YQEACOUVNGXZHQ-HXUWFJFHSA-N 2 2 408.550 2.294 50 0 HEAALP CCn1cc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538933 523371112 /nfs/dbraw/zinc/37/11/12/523371112.db2.gz GSQRRZWGMWPFMM-NRFANRHFSA-N 2 2 411.550 2.414 50 0 HEAALP CCn1cc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538933 523371116 /nfs/dbraw/zinc/37/11/16/523371116.db2.gz GSQRRZWGMWPFMM-NRFANRHFSA-N 2 2 411.550 2.414 50 0 HEAALP CCn1cc[nH+]c1CN(C)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020599412 523523682 /nfs/dbraw/zinc/52/36/82/523523682.db2.gz OOLGNGBZMMPCNF-UHFFFAOYSA-N 2 2 422.533 2.481 50 0 HEAALP COc1ccccc1N1CC[NH+](Cc2cccc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000034682389 557383920 /nfs/dbraw/zinc/38/39/20/557383920.db2.gz GIJHJPSXFAXSIO-UHFFFAOYSA-N 2 2 408.546 2.405 50 0 HEAALP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3csc(C)n3)c2)CC1 ZINC000019791438 558282858 /nfs/dbraw/zinc/28/28/58/558282858.db2.gz IOMVEAWMHWXQQZ-HXUWFJFHSA-N 2 2 404.580 2.119 50 0 HEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3csc(C)n3)c2)CC1 ZINC000019791438 558282861 /nfs/dbraw/zinc/28/28/61/558282861.db2.gz IOMVEAWMHWXQQZ-HXUWFJFHSA-N 2 2 404.580 2.119 50 0 HEAALP Cc1nc(C[NH2+]Cc2ccc(OC[C@@H](O)CN3CC[NH+](C)CC3)cc2)sc1C ZINC000020514009 558382695 /nfs/dbraw/zinc/38/26/95/558382695.db2.gz UNILEHFMLRZBTI-IBGZPJMESA-N 2 2 404.580 2.037 50 0 HEAALP Cc1nc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCN(C)CC3)cc2)sc1C ZINC000020514009 558382699 /nfs/dbraw/zinc/38/26/99/558382699.db2.gz UNILEHFMLRZBTI-IBGZPJMESA-N 2 2 404.580 2.037 50 0 HEAALP CCC[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014541144 558659922 /nfs/dbraw/zinc/65/99/22/558659922.db2.gz JFJKMKFPUGNXFM-RBUKOAKNSA-N 2 2 404.580 2.045 50 0 HEAALP CCC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014541144 558659925 /nfs/dbraw/zinc/65/99/25/558659925.db2.gz JFJKMKFPUGNXFM-RBUKOAKNSA-N 2 2 404.580 2.045 50 0 HEAALP CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCC[NH+]1CCOCC1 ZINC000019222708 558852153 /nfs/dbraw/zinc/85/21/53/558852153.db2.gz JIGJOOHMACDPPB-UHFFFAOYSA-N 2 2 421.545 2.418 50 0 HEAALP CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000058129406 558900429 /nfs/dbraw/zinc/90/04/29/558900429.db2.gz ILVHMIDTEKCHKO-UHFFFAOYSA-N 2 2 424.549 2.382 50 0 HEAALP Cc1[nH+]ccn1-c1cc(NCCNS(=O)(=O)c2ccccc2Cl)[nH+]c(C)n1 ZINC000065363165 558974155 /nfs/dbraw/zinc/97/41/55/558974155.db2.gz ZNXMJVQILFJZAL-UHFFFAOYSA-N 2 2 406.899 2.323 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000067621442 558989605 /nfs/dbraw/zinc/98/96/05/558989605.db2.gz GGTVFCJQAKEFCI-UHFFFAOYSA-N 2 2 412.881 2.352 50 0 HEAALP CC(C)CC(=O)N1CC[NH+]([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036254998 559013061 /nfs/dbraw/zinc/01/30/61/559013061.db2.gz QAHBUPCGQWZPRQ-JOCHJYFZSA-N 2 2 406.615 2.338 50 0 HEAALP O=C(NCCCn1cccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109931 559038976 /nfs/dbraw/zinc/03/89/76/559038976.db2.gz KBSWKSRBYTXGOK-OAQYLSRUSA-N 2 2 410.566 2.161 50 0 HEAALP O=C(NCCCn1cccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109931 559038978 /nfs/dbraw/zinc/03/89/78/559038978.db2.gz KBSWKSRBYTXGOK-OAQYLSRUSA-N 2 2 410.566 2.161 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082121932 559039664 /nfs/dbraw/zinc/03/96/64/559039664.db2.gz LVTBACKZUNXHRG-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082121932 559039666 /nfs/dbraw/zinc/03/96/66/559039666.db2.gz LVTBACKZUNXHRG-IBGZPJMESA-N 2 2 412.538 2.108 50 0 HEAALP Cc1ccccc1OC[C@H](O)Cn1c2ccccc2n(CC[NH+]2CCOCC2)c1=[NH2+] ZINC000000809648 568487463 /nfs/dbraw/zinc/48/74/63/568487463.db2.gz BNLJCHZXULDCKX-LJQANCHMSA-N 2 2 410.518 2.003 50 0 HEAALP CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1C(=O)NCc1ccco1 ZINC000089346155 569058650 /nfs/dbraw/zinc/05/86/50/569058650.db2.gz PYRDRMHYCWQIGG-UHFFFAOYSA-N 2 2 409.490 2.391 50 0 HEAALP CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1C(=O)NCc1ccco1 ZINC000089346155 569058651 /nfs/dbraw/zinc/05/86/51/569058651.db2.gz PYRDRMHYCWQIGG-UHFFFAOYSA-N 2 2 409.490 2.391 50 0 HEAALP C[NH+](C)CCNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000002242147 569323627 /nfs/dbraw/zinc/32/36/27/569323627.db2.gz UOGGMJXOQMSYGO-UHFFFAOYSA-N 2 2 408.535 2.266 50 0 HEAALP C[NH+](C)CCNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000002242147 569323628 /nfs/dbraw/zinc/32/36/28/569323628.db2.gz UOGGMJXOQMSYGO-UHFFFAOYSA-N 2 2 408.535 2.266 50 0 HEAALP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCN(c4ccccc4O)CC3)CC2)c1 ZINC000012555592 132363611 /nfs/dbraw/zinc/36/36/11/132363611.db2.gz LNMKFHOLXLGNMO-UHFFFAOYSA-N 2 2 408.546 2.167 50 0 HEAALP COc1ccc(C[NH+]2CCOCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011844137 558288775 /nfs/dbraw/zinc/28/87/75/558288775.db2.gz RVUKNSGEPUNKMT-NRFANRHFSA-N 2 2 400.519 2.399 50 0 HEAALP COc1ccc(C[NH+]2CCOCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011844137 558288777 /nfs/dbraw/zinc/28/87/77/558288777.db2.gz RVUKNSGEPUNKMT-NRFANRHFSA-N 2 2 400.519 2.399 50 0 HEAALP Cc1[nH+]ccn1CCNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000019853704 558296193 /nfs/dbraw/zinc/29/61/93/558296193.db2.gz MLAJNKCXDBVNJZ-UHFFFAOYSA-N 3 2 424.593 2.388 50 0 HEAALP CCOC(=O)N1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000012075069 558319394 /nfs/dbraw/zinc/31/93/94/558319394.db2.gz MKRPKRBDKUHBLF-HXUWFJFHSA-N 2 2 405.539 2.186 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020878098 558419670 /nfs/dbraw/zinc/41/96/70/558419670.db2.gz ZWHXIYDJMQBEEG-LJQANCHMSA-N 2 2 419.591 2.342 50 0 HEAALP COc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020993718 558426665 /nfs/dbraw/zinc/42/66/65/558426665.db2.gz KUVYUNDUODTELR-FQEVSTJZSA-N 2 2 419.566 2.165 50 0 HEAALP COc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020993718 558426668 /nfs/dbraw/zinc/42/66/68/558426668.db2.gz KUVYUNDUODTELR-FQEVSTJZSA-N 2 2 419.566 2.165 50 0 HEAALP COc1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020993718 558426670 /nfs/dbraw/zinc/42/66/70/558426670.db2.gz KUVYUNDUODTELR-FQEVSTJZSA-N 2 2 419.566 2.165 50 0 HEAALP COc1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020993718 558426673 /nfs/dbraw/zinc/42/66/73/558426673.db2.gz KUVYUNDUODTELR-FQEVSTJZSA-N 2 2 419.566 2.165 50 0 HEAALP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012993069 558497186 /nfs/dbraw/zinc/49/71/86/558497186.db2.gz SLGKSDDJNIAHOU-HXUWFJFHSA-N 2 2 410.518 2.235 50 0 HEAALP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012993069 558497189 /nfs/dbraw/zinc/49/71/89/558497189.db2.gz SLGKSDDJNIAHOU-HXUWFJFHSA-N 2 2 410.518 2.235 50 0 HEAALP COc1cccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCOCC3)c(OC)c2)c1 ZINC000014971837 558687576 /nfs/dbraw/zinc/68/75/76/558687576.db2.gz ZJOPFCFXKYNOTK-FQEVSTJZSA-N 2 2 416.518 2.066 50 0 HEAALP CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014973306 558688245 /nfs/dbraw/zinc/68/82/45/558688245.db2.gz RPMSETUUXVDSDQ-IBGZPJMESA-N 2 2 400.567 2.145 50 0 HEAALP CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014973306 558688248 /nfs/dbraw/zinc/68/82/48/558688248.db2.gz RPMSETUUXVDSDQ-IBGZPJMESA-N 2 2 400.567 2.145 50 0 HEAALP COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015068719 558711235 /nfs/dbraw/zinc/71/12/35/558711235.db2.gz FLCAEJHSKQFNQX-HXUWFJFHSA-N 2 2 404.482 2.196 50 0 HEAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000015078782 558717794 /nfs/dbraw/zinc/71/77/94/558717794.db2.gz CPVIJWVOWBQKSC-FGZHOGPDSA-N 2 2 402.514 2.020 50 0 HEAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000015078782 558717798 /nfs/dbraw/zinc/71/77/98/558717798.db2.gz CPVIJWVOWBQKSC-FGZHOGPDSA-N 2 2 402.514 2.020 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000067613595 558989311 /nfs/dbraw/zinc/98/93/11/558989311.db2.gz ZOFOVQPOJSDQNZ-UHFFFAOYSA-N 2 2 418.910 2.135 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091462 559036984 /nfs/dbraw/zinc/03/69/84/559036984.db2.gz WXFQOBCPIBALEP-OAQYLSRUSA-N 2 2 410.566 2.150 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091462 559036985 /nfs/dbraw/zinc/03/69/85/559036985.db2.gz WXFQOBCPIBALEP-OAQYLSRUSA-N 2 2 410.566 2.150 50 0 HEAALP Cc1noc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082127016 559039823 /nfs/dbraw/zinc/03/98/23/559039823.db2.gz ARWHPZQYNRAWQT-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP Cc1noc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082127016 559039825 /nfs/dbraw/zinc/03/98/25/559039825.db2.gz ARWHPZQYNRAWQT-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP Nc1ncccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127940 559040008 /nfs/dbraw/zinc/04/00/08/559040008.db2.gz NPBHMGSHCVXJMA-IBGZPJMESA-N 2 2 408.550 2.052 50 0 HEAALP Nc1ncccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127940 559040009 /nfs/dbraw/zinc/04/00/09/559040009.db2.gz NPBHMGSHCVXJMA-IBGZPJMESA-N 2 2 408.550 2.052 50 0 HEAALP C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000219422868 568491668 /nfs/dbraw/zinc/49/16/68/568491668.db2.gz LHAQZFIPMPJJBR-GOSISDBHSA-N 2 2 400.523 2.053 50 0 HEAALP C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000219422868 568491669 /nfs/dbraw/zinc/49/16/69/568491669.db2.gz LHAQZFIPMPJJBR-GOSISDBHSA-N 2 2 400.523 2.053 50 0 HEAALP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000095993349 568678084 /nfs/dbraw/zinc/67/80/84/568678084.db2.gz DFENLKDBZHQQMH-NSHGMRRFSA-N 2 2 418.563 2.194 50 0 HEAALP C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000095993349 568678085 /nfs/dbraw/zinc/67/80/85/568678085.db2.gz DFENLKDBZHQQMH-NSHGMRRFSA-N 2 2 418.563 2.194 50 0 HEAALP CCc1c[nH+]c(C)nc1NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299764364 568873576 /nfs/dbraw/zinc/87/35/76/568873576.db2.gz UWSPHGBTFPMXRJ-FQEVSTJZSA-N 2 2 401.555 2.109 50 0 HEAALP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000104314749 569008196 /nfs/dbraw/zinc/00/81/96/569008196.db2.gz MBOUDOXMGOPCSL-OAQYLSRUSA-N 2 2 411.550 2.232 50 0 HEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000104314749 569008197 /nfs/dbraw/zinc/00/81/97/569008197.db2.gz MBOUDOXMGOPCSL-OAQYLSRUSA-N 2 2 411.550 2.232 50 0 HEAALP CC(=[NH2+])Nc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000526052645 569239901 /nfs/dbraw/zinc/23/99/01/569239901.db2.gz QXKVLLUPDUXPPS-HNNXBMFYSA-N 2 2 409.494 2.349 50 0 HEAALP CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc(C)c2c1 ZINC000021703990 519735024 /nfs/dbraw/zinc/73/50/24/519735024.db2.gz MFXPQFUCVKZOHQ-UHFFFAOYSA-N 2 2 409.534 2.492 50 0 HEAALP O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776752 526482422 /nfs/dbraw/zinc/48/24/22/526482422.db2.gz HGORAGRXJBUDDI-UHFFFAOYSA-N 2 2 421.545 2.471 50 0 HEAALP CC[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC(=O)N2)CC1 ZINC000021122890 558431442 /nfs/dbraw/zinc/43/14/42/558431442.db2.gz CGIAPHYIDRJREW-HXUWFJFHSA-N 2 2 421.501 2.299 50 0 HEAALP CC(C)C[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014541751 558660414 /nfs/dbraw/zinc/66/04/14/558660414.db2.gz PYIVTNWMIWFXDR-VQTJNVASSA-N 2 2 418.607 2.291 50 0 HEAALP CC(C)C[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014541751 558660417 /nfs/dbraw/zinc/66/04/17/558660417.db2.gz PYIVTNWMIWFXDR-VQTJNVASSA-N 2 2 418.607 2.291 50 0 HEAALP O=C(C[NH2+]CCCn1cc[nH+]c1)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000015081326 558718954 /nfs/dbraw/zinc/71/89/54/558718954.db2.gz GNTZMLPEKICRTD-UHFFFAOYSA-N 2 2 415.404 2.464 50 0 HEAALP CC(C)NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccn3-c3ncccn3)CC2)CC1 ZINC000019300351 558866305 /nfs/dbraw/zinc/86/63/05/558866305.db2.gz RFTMLIKKDHROOT-UHFFFAOYSA-N 2 2 410.566 2.468 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)[nH+]cn1 ZINC000072434230 558979813 /nfs/dbraw/zinc/97/98/13/558979813.db2.gz UTAOKFCPBXLIPD-UHFFFAOYSA-N 2 2 412.519 2.098 50 0 HEAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc[nH+]3)CC2)c(C)c1 ZINC000072446705 558982439 /nfs/dbraw/zinc/98/24/39/558982439.db2.gz LKJBHGDRBFPPAG-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106625 559038305 /nfs/dbraw/zinc/03/83/05/559038305.db2.gz LQKXBDJMACJRRH-QFIPXVFZSA-N 3 2 413.610 2.312 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106625 559038307 /nfs/dbraw/zinc/03/83/07/559038307.db2.gz LQKXBDJMACJRRH-QFIPXVFZSA-N 3 2 413.610 2.312 50 0 HEAALP CCn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107298 559038494 /nfs/dbraw/zinc/03/84/94/559038494.db2.gz PJKWHUABGMTGGW-FQEVSTJZSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107298 559038496 /nfs/dbraw/zinc/03/84/96/559038496.db2.gz PJKWHUABGMTGGW-FQEVSTJZSA-N 2 2 410.566 2.291 50 0 HEAALP Cc1ccc(C(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000082230613 559042809 /nfs/dbraw/zinc/04/28/09/559042809.db2.gz PWLXLYBRGFHQCQ-UHFFFAOYSA-N 2 2 408.550 2.116 50 0 HEAALP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091462559 559071800 /nfs/dbraw/zinc/07/18/00/559071800.db2.gz XCTHESPGLBMOMO-NRFANRHFSA-N 3 2 413.610 2.311 50 0 HEAALP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091462559 559071801 /nfs/dbraw/zinc/07/18/01/559071801.db2.gz XCTHESPGLBMOMO-NRFANRHFSA-N 3 2 413.610 2.311 50 0 HEAALP CC[C@H](C)C(=O)N1CC[NH+]([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255092 569120272 /nfs/dbraw/zinc/12/02/72/569120272.db2.gz YJHXPKRMZUVULB-FPOVZHCZSA-N 2 2 406.615 2.338 50 0 HEAALP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972791 569422601 /nfs/dbraw/zinc/42/26/01/569422601.db2.gz FNXBHKZKWSKYRN-QZTJIDSGSA-N 2 2 407.530 2.205 50 0 HEAALP O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008004430 132326866 /nfs/dbraw/zinc/32/68/66/132326866.db2.gz OLMGKUJVBBWJSK-UHFFFAOYSA-N 2 2 407.518 2.081 50 0 HEAALP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020598638 524072797 /nfs/dbraw/zinc/07/27/97/524072797.db2.gz OMAPSWSXOMQXQS-QFIPXVFZSA-N 2 2 413.562 2.281 50 0 HEAALP O[C@@H](COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1)C[NH+]1CCOCC1 ZINC000019794878 558283914 /nfs/dbraw/zinc/28/39/14/558283914.db2.gz GTYCTEJGJYXXNQ-HSZRJFAPSA-N 2 2 417.594 2.209 50 0 HEAALP COc1ccc(C[NH+]2CCOCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011844138 558288800 /nfs/dbraw/zinc/28/88/00/558288800.db2.gz RVUKNSGEPUNKMT-OAQYLSRUSA-N 2 2 400.519 2.399 50 0 HEAALP COc1ccc(C[NH+]2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011844138 558288803 /nfs/dbraw/zinc/28/88/03/558288803.db2.gz RVUKNSGEPUNKMT-OAQYLSRUSA-N 2 2 400.519 2.399 50 0 HEAALP COc1cc(C[NH2+]CCc2cccs2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000011873059 558290857 /nfs/dbraw/zinc/29/08/57/558290857.db2.gz PTGAMMDZJBIMND-SFHVURJKSA-N 2 2 406.548 2.161 50 0 HEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)CC1 ZINC000019841154 558294338 /nfs/dbraw/zinc/29/43/38/558294338.db2.gz ROZPEQHZIPAKEX-QFIPXVFZSA-N 2 2 413.562 2.362 50 0 HEAALP COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012468857 558421276 /nfs/dbraw/zinc/42/12/76/558421276.db2.gz WQEPHWZSFMLQOK-FQEVSTJZSA-N 2 2 404.482 2.196 50 0 HEAALP CC(C)C[C@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014537122 558658506 /nfs/dbraw/zinc/65/85/06/558658506.db2.gz PYIVTNWMIWFXDR-WOJBJXKFSA-N 2 2 418.607 2.291 50 0 HEAALP CC(C)C[C@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014537122 558658509 /nfs/dbraw/zinc/65/85/09/558658509.db2.gz PYIVTNWMIWFXDR-WOJBJXKFSA-N 2 2 418.607 2.291 50 0 HEAALP Cc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416334 558897721 /nfs/dbraw/zinc/89/77/21/558897721.db2.gz GIIHFZVQSISRON-HXUWFJFHSA-N 2 2 408.550 2.486 50 0 HEAALP Cc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416334 558897722 /nfs/dbraw/zinc/89/77/22/558897722.db2.gz GIIHFZVQSISRON-HXUWFJFHSA-N 2 2 408.550 2.486 50 0 HEAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760349 558910083 /nfs/dbraw/zinc/91/00/83/558910083.db2.gz KFAHGVFLSAOWAU-GOSISDBHSA-N 2 2 416.566 2.398 50 0 HEAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760349 558910085 /nfs/dbraw/zinc/91/00/85/558910085.db2.gz KFAHGVFLSAOWAU-GOSISDBHSA-N 2 2 416.566 2.398 50 0 HEAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)[nH+]cn2)CC1 ZINC000072442400 558982213 /nfs/dbraw/zinc/98/22/13/558982213.db2.gz UUMIRKTXCFGLAT-UHFFFAOYSA-N 2 2 415.929 2.236 50 0 HEAALP CCc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c1 ZINC000067622477 558989900 /nfs/dbraw/zinc/98/99/00/558989900.db2.gz GGGGHEVGGOEEGS-UHFFFAOYSA-N 2 2 423.565 2.453 50 0 HEAALP COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000096137450 559095587 /nfs/dbraw/zinc/09/55/87/559095587.db2.gz HIFCJNUVPWHQAT-HXUWFJFHSA-N 2 2 400.523 2.314 50 0 HEAALP C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000222183669 568514328 /nfs/dbraw/zinc/51/43/28/568514328.db2.gz DFENLKDBZHQQMH-WSTZPKSXSA-N 2 2 418.563 2.194 50 0 HEAALP C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000222183669 568514329 /nfs/dbraw/zinc/51/43/29/568514329.db2.gz DFENLKDBZHQQMH-WSTZPKSXSA-N 2 2 418.563 2.194 50 0 HEAALP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877871 568922167 /nfs/dbraw/zinc/92/21/67/568922167.db2.gz OLMQEBSYORSISS-KRWDZBQOSA-N 2 2 423.355 2.016 50 0 HEAALP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877871 568922168 /nfs/dbraw/zinc/92/21/68/568922168.db2.gz OLMQEBSYORSISS-KRWDZBQOSA-N 2 2 423.355 2.016 50 0 HEAALP Cc1[nH+]cc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1C ZINC000426582807 569073487 /nfs/dbraw/zinc/07/34/87/569073487.db2.gz KKKJDIQJKWALCR-OAQYLSRUSA-N 2 2 416.497 2.138 50 0 HEAALP CC[C@@H](C)C(=O)N1CC[NH+]([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255094 569120281 /nfs/dbraw/zinc/12/02/81/569120281.db2.gz YJHXPKRMZUVULB-TZIWHRDSSA-N 2 2 406.615 2.338 50 0 HEAALP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000170598326 569242421 /nfs/dbraw/zinc/24/24/21/569242421.db2.gz CQRDQDSHTPCOIZ-SFHVURJKSA-N 2 2 423.583 2.160 50 0 HEAALP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404725 569365887 /nfs/dbraw/zinc/36/58/87/569365887.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404725 569365889 /nfs/dbraw/zinc/36/58/89/569365889.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404725 569365891 /nfs/dbraw/zinc/36/58/91/569365891.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404725 569365893 /nfs/dbraw/zinc/36/58/93/569365893.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 2 2 423.561 2.408 50 0 HEAALP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000004744847 557591688 /nfs/dbraw/zinc/59/16/88/557591688.db2.gz UEMHXSNZQCJLMS-OAHLLOKOSA-N 2 2 410.356 2.444 50 0 HEAALP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000004744847 557591691 /nfs/dbraw/zinc/59/16/91/557591691.db2.gz UEMHXSNZQCJLMS-OAHLLOKOSA-N 2 2 410.356 2.444 50 0 HEAALP Cc1cccc2[nH+]c(CC[NH2+]Cc3c(C(=O)N4CCOCC4)nc4ccccn43)[nH]c21 ZINC000019782023 558281465 /nfs/dbraw/zinc/28/14/65/558281465.db2.gz DHGJREHYCGSWJG-UHFFFAOYSA-N 2 2 418.501 2.324 50 0 HEAALP Cc1cccc2[nH]c(CC[NH2+]Cc3c(C(=O)N4CCOCC4)nc4ccccn43)[nH+]c21 ZINC000019782023 558281468 /nfs/dbraw/zinc/28/14/68/558281468.db2.gz DHGJREHYCGSWJG-UHFFFAOYSA-N 2 2 418.501 2.324 50 0 HEAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019899523 558304847 /nfs/dbraw/zinc/30/48/47/558304847.db2.gz ZRXWWPWDHIPZAG-LEWJYISDSA-N 2 2 420.513 2.211 50 0 HEAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCc4cnccn4)c3)CC2)CC1 ZINC000020906167 558421109 /nfs/dbraw/zinc/42/11/09/558421109.db2.gz DYVZKSIUDKHYFO-UHFFFAOYSA-N 2 2 423.561 2.387 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022919304 558522123 /nfs/dbraw/zinc/52/21/23/558522123.db2.gz DLROBHIQXIQCEP-OAQYLSRUSA-N 2 2 417.525 2.111 50 0 HEAALP COc1ccc(C[NH2+]Cc2cccc(F)c2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000023375268 558554921 /nfs/dbraw/zinc/55/49/21/558554921.db2.gz ORAZCKQNQYAAAU-OAQYLSRUSA-N 2 2 417.525 2.111 50 0 HEAALP COc1ccc(C[NH2+]Cc2cccc(F)c2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000023375268 558554925 /nfs/dbraw/zinc/55/49/25/558554925.db2.gz ORAZCKQNQYAAAU-OAQYLSRUSA-N 2 2 417.525 2.111 50 0 HEAALP COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000014879792 558675710 /nfs/dbraw/zinc/67/57/10/558675710.db2.gz LJXOZBCJYWJRJZ-GHTZIAJQSA-N 2 2 406.523 2.180 50 0 HEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000014879792 558675711 /nfs/dbraw/zinc/67/57/11/558675711.db2.gz LJXOZBCJYWJRJZ-GHTZIAJQSA-N 2 2 406.523 2.180 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[nH+]cn1 ZINC000067604088 558988472 /nfs/dbraw/zinc/98/84/72/558988472.db2.gz LWBNCEJKAFPUHE-UHFFFAOYSA-N 2 2 418.910 2.135 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082096534 559037289 /nfs/dbraw/zinc/03/72/89/559037289.db2.gz VFLPEVCBKOXRLZ-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082096534 559037291 /nfs/dbraw/zinc/03/72/91/559037291.db2.gz VFLPEVCBKOXRLZ-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082166397 559042073 /nfs/dbraw/zinc/04/20/73/559042073.db2.gz KSPHGHSUGSJJKQ-JOCHJYFZSA-N 3 2 413.610 2.360 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082166397 559042074 /nfs/dbraw/zinc/04/20/74/559042074.db2.gz KSPHGHSUGSJJKQ-JOCHJYFZSA-N 3 2 413.610 2.360 50 0 HEAALP CCc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082166960 559042180 /nfs/dbraw/zinc/04/21/80/559042180.db2.gz DSPYAKVCPIIEPA-SFHVURJKSA-N 2 2 412.538 2.020 50 0 HEAALP CCc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082166960 559042181 /nfs/dbraw/zinc/04/21/81/559042181.db2.gz DSPYAKVCPIIEPA-SFHVURJKSA-N 2 2 412.538 2.020 50 0 HEAALP CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092077009 559075373 /nfs/dbraw/zinc/07/53/73/559075373.db2.gz WWZRQXJGSPCEDV-OAQYLSRUSA-N 2 2 410.566 2.182 50 0 HEAALP CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092077009 559075376 /nfs/dbraw/zinc/07/53/76/559075376.db2.gz WWZRQXJGSPCEDV-OAQYLSRUSA-N 2 2 410.566 2.182 50 0 HEAALP CC[C@](C)(CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162319 568916669 /nfs/dbraw/zinc/91/66/69/568916669.db2.gz ZMKFWSWKFNFETD-FYYLOGMGSA-N 2 2 418.582 2.168 50 0 HEAALP C[N@H+](CCN1CCCC1=O)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000083860897 568921338 /nfs/dbraw/zinc/92/13/38/568921338.db2.gz BPBSWETVOXNDIV-LJQANCHMSA-N 2 2 406.958 2.147 50 0 HEAALP C[N@@H+](CCN1CCCC1=O)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000083860897 568921340 /nfs/dbraw/zinc/92/13/40/568921340.db2.gz BPBSWETVOXNDIV-LJQANCHMSA-N 2 2 406.958 2.147 50 0 HEAALP O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000670455392 568931422 /nfs/dbraw/zinc/93/14/22/568931422.db2.gz RLFXILMSMGNZCJ-CVCZCXRASA-N 2 2 413.525 2.374 50 0 HEAALP O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000670455392 568931425 /nfs/dbraw/zinc/93/14/25/568931425.db2.gz RLFXILMSMGNZCJ-CVCZCXRASA-N 2 2 413.525 2.374 50 0 HEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1 ZINC000104642286 569008056 /nfs/dbraw/zinc/00/80/56/569008056.db2.gz QRIMPTZRFRETFP-OAQYLSRUSA-N 2 2 413.566 2.478 50 0 HEAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1 ZINC000104642286 569008057 /nfs/dbraw/zinc/00/80/57/569008057.db2.gz QRIMPTZRFRETFP-OAQYLSRUSA-N 2 2 413.566 2.478 50 0 HEAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1 ZINC000104642286 569008058 /nfs/dbraw/zinc/00/80/58/569008058.db2.gz QRIMPTZRFRETFP-OAQYLSRUSA-N 2 2 413.566 2.478 50 0 HEAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1 ZINC000104642286 569008059 /nfs/dbraw/zinc/00/80/59/569008059.db2.gz QRIMPTZRFRETFP-OAQYLSRUSA-N 2 2 413.566 2.478 50 0 HEAALP CC[C@H](C)C(=O)N1CC[NH+]([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255095 569120324 /nfs/dbraw/zinc/12/03/24/569120324.db2.gz YJHXPKRMZUVULB-PZJWPPBQSA-N 2 2 406.615 2.338 50 0 HEAALP O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065294971 569218616 /nfs/dbraw/zinc/21/86/16/569218616.db2.gz GSRBMTDEMKJIGT-UHFFFAOYSA-N 2 2 419.533 2.207 50 0 HEAALP Fc1ccc(-c2nnc(SCCn3cc[nH+]c3)n2CC[NH+]2CCOCC2)cc1 ZINC000089793872 569265228 /nfs/dbraw/zinc/26/52/28/569265228.db2.gz PQYUVAUTCPJKDC-UHFFFAOYSA-N 2 2 402.499 2.405 50 0 HEAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265314 571221543 /nfs/dbraw/zinc/22/15/43/571221543.db2.gz FWHDRWBJYMHNFX-CTNGQTDRSA-N 2 2 409.530 2.491 50 0 HEAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265314 571221547 /nfs/dbraw/zinc/22/15/47/571221547.db2.gz FWHDRWBJYMHNFX-CTNGQTDRSA-N 2 2 409.530 2.491 50 0 HEAALP Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCC[NH+]1CCOCC1 ZINC000020601131 525608954 /nfs/dbraw/zinc/60/89/54/525608954.db2.gz BQNFKYWIGWYDFG-UHFFFAOYSA-N 2 2 413.566 2.471 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019744329 558264705 /nfs/dbraw/zinc/26/47/05/558264705.db2.gz UKBZDDJXMUEPMS-QFIPXVFZSA-N 2 2 413.562 2.281 50 0 HEAALP Cc1n[nH]c(SCC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000012093199 558324795 /nfs/dbraw/zinc/32/47/95/558324795.db2.gz RDUNDLJCSKYEDO-GOSISDBHSA-N 2 2 405.568 2.221 50 0 HEAALP Cc1ncc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)s1 ZINC000023214988 558542925 /nfs/dbraw/zinc/54/29/25/558542925.db2.gz LHMLZFRHACEVDT-LJQANCHMSA-N 2 2 406.596 2.423 50 0 HEAALP COc1cccc(C[NH2+]Cc2ccccc2C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015075034 558715577 /nfs/dbraw/zinc/71/55/77/558715577.db2.gz INWBGCHXCZDUOE-NRFANRHFSA-N 2 2 400.519 2.365 50 0 HEAALP COc1cccc(C[N@H+](C)CCC2CCOCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000039353963 558820248 /nfs/dbraw/zinc/82/02/48/558820248.db2.gz XYTLGQKJYINABY-OAQYLSRUSA-N 2 2 422.566 2.016 50 0 HEAALP COc1cccc(C[N@@H+](C)CCC2CCOCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000039353963 558820250 /nfs/dbraw/zinc/82/02/50/558820250.db2.gz XYTLGQKJYINABY-OAQYLSRUSA-N 2 2 422.566 2.016 50 0 HEAALP COc1ccc(CC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)cc1 ZINC000072441970 558982041 /nfs/dbraw/zinc/98/20/41/558982041.db2.gz CBCDMAZNQHANBN-UHFFFAOYSA-N 2 2 420.517 2.487 50 0 HEAALP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077388588 559003359 /nfs/dbraw/zinc/00/33/59/559003359.db2.gz WENBOEQORBUGOL-SFHVURJKSA-N 2 2 405.502 2.166 50 0 HEAALP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077388588 559003360 /nfs/dbraw/zinc/00/33/60/559003360.db2.gz WENBOEQORBUGOL-SFHVURJKSA-N 2 2 405.502 2.166 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082098002 559037803 /nfs/dbraw/zinc/03/78/03/559037803.db2.gz IIFURDAFTCZTRX-NRFANRHFSA-N 2 2 414.594 2.427 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082098002 559037804 /nfs/dbraw/zinc/03/78/04/559037804.db2.gz IIFURDAFTCZTRX-NRFANRHFSA-N 2 2 414.594 2.427 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082147310 559040875 /nfs/dbraw/zinc/04/08/75/559040875.db2.gz QPXBENVFVVLVDR-QFIPXVFZSA-N 3 2 413.610 2.360 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082147310 559040876 /nfs/dbraw/zinc/04/08/76/559040876.db2.gz QPXBENVFVVLVDR-QFIPXVFZSA-N 3 2 413.610 2.360 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082167370 559042206 /nfs/dbraw/zinc/04/22/06/559042206.db2.gz JXVIQJGNYJNJAA-NRFANRHFSA-N 2 2 414.594 2.427 50 0 HEAALP O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082167370 559042207 /nfs/dbraw/zinc/04/22/07/559042207.db2.gz JXVIQJGNYJNJAA-NRFANRHFSA-N 2 2 414.594 2.427 50 0 HEAALP Cc1[nH+]cn(-c2cc(NCCNS(=O)(=O)c3cccc(C)c3)[nH+]c(C)n2)c1C ZINC000082230472 559042738 /nfs/dbraw/zinc/04/27/38/559042738.db2.gz HFXJDUKAJREFCW-UHFFFAOYSA-N 2 2 400.508 2.286 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cnn(C)c2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095520483 559085076 /nfs/dbraw/zinc/08/50/76/559085076.db2.gz AFXJIAPZOVZXDE-HXUWFJFHSA-N 2 2 402.539 2.205 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cnn(C)c2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095520483 559085077 /nfs/dbraw/zinc/08/50/77/559085077.db2.gz AFXJIAPZOVZXDE-HXUWFJFHSA-N 2 2 402.539 2.205 50 0 HEAALP O=c1cc(C[NH+]2CCCCCC2)oc(CN2CC[NH+](Cc3cccnc3)CC2)c1O ZINC000253413318 569051483 /nfs/dbraw/zinc/05/14/83/569051483.db2.gz UMABNRUJLIRGEG-UHFFFAOYSA-N 2 2 412.534 2.434 50 0 HEAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC3(O)CC[NH+](C)CC3)csc2C1 ZINC000426697606 569073938 /nfs/dbraw/zinc/07/39/38/569073938.db2.gz WYSHKPBTYSZYIM-UHFFFAOYSA-N 2 2 418.563 2.098 50 0 HEAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC3(O)CC[NH+](C)CC3)csc2C1 ZINC000426697606 569073939 /nfs/dbraw/zinc/07/39/39/569073939.db2.gz WYSHKPBTYSZYIM-UHFFFAOYSA-N 2 2 418.563 2.098 50 0 HEAALP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008734781 571109574 /nfs/dbraw/zinc/10/95/74/571109574.db2.gz CXEUJWRPZPBLNN-QGZVFWFLSA-N 2 2 411.502 2.407 50 0 HEAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265315 571221667 /nfs/dbraw/zinc/22/16/67/571221667.db2.gz FWHDRWBJYMHNFX-FPOVZHCZSA-N 2 2 409.530 2.491 50 0 HEAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265315 571221668 /nfs/dbraw/zinc/22/16/68/571221668.db2.gz FWHDRWBJYMHNFX-FPOVZHCZSA-N 2 2 409.530 2.491 50 0 HEAALP O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044849575 526487092 /nfs/dbraw/zinc/48/70/92/526487092.db2.gz WRZPIJFFUQRPFG-RMKNXTFCSA-N 2 2 419.573 2.451 50 0 HEAALP CCn1cc[nH+]c1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000011818820 558282251 /nfs/dbraw/zinc/28/22/51/558282251.db2.gz LVQJBHAJUVXUJL-HXUWFJFHSA-N 2 2 405.502 2.063 50 0 HEAALP CCn1cc[nH+]c1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000011818820 558282254 /nfs/dbraw/zinc/28/22/54/558282254.db2.gz LVQJBHAJUVXUJL-HXUWFJFHSA-N 2 2 405.502 2.063 50 0 HEAALP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000012448264 558415387 /nfs/dbraw/zinc/41/53/87/558415387.db2.gz ABEQMYIYALTVED-DHIUTWEWSA-N 2 2 413.562 2.471 50 0 HEAALP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000012448264 558415388 /nfs/dbraw/zinc/41/53/88/558415388.db2.gz ABEQMYIYALTVED-DHIUTWEWSA-N 2 2 413.562 2.471 50 0 HEAALP CC(C)Oc1ccc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000012448264 558415390 /nfs/dbraw/zinc/41/53/90/558415390.db2.gz ABEQMYIYALTVED-DHIUTWEWSA-N 2 2 413.562 2.471 50 0 HEAALP CC(C)Oc1ccc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000012448264 558415392 /nfs/dbraw/zinc/41/53/92/558415392.db2.gz ABEQMYIYALTVED-DHIUTWEWSA-N 2 2 413.562 2.471 50 0 HEAALP CC[NH+]1CCN(C2=[NH+][C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC(=O)N2)CC1 ZINC000021122887 558431426 /nfs/dbraw/zinc/43/14/26/558431426.db2.gz CGIAPHYIDRJREW-FQEVSTJZSA-N 2 2 421.501 2.299 50 0 HEAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736237 558588559 /nfs/dbraw/zinc/58/85/59/558588559.db2.gz YVIGJPLBLGSVCV-UHFFFAOYSA-N 2 2 424.505 2.275 50 0 HEAALP COc1cccc(C[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCOCC3)c(OC)c2)c1 ZINC000014971841 558687607 /nfs/dbraw/zinc/68/76/07/558687607.db2.gz ZJOPFCFXKYNOTK-HXUWFJFHSA-N 2 2 416.518 2.066 50 0 HEAALP COc1cccc(C[NH2+]CCCc2ccccc2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015071455 558713047 /nfs/dbraw/zinc/71/30/47/558713047.db2.gz USEZCRVERKPEJZ-QFIPXVFZSA-N 2 2 414.546 2.490 50 0 HEAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NCc4ccncn4)c3)CC2)CC1 ZINC000019300908 558866547 /nfs/dbraw/zinc/86/65/47/558866547.db2.gz OBFYFNUZSFMNID-UHFFFAOYSA-N 2 2 409.534 2.344 50 0 HEAALP CCn1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097036 559037512 /nfs/dbraw/zinc/03/75/12/559037512.db2.gz JIPPRPZVBAXZSG-HXUWFJFHSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097036 559037514 /nfs/dbraw/zinc/03/75/14/559037514.db2.gz JIPPRPZVBAXZSG-HXUWFJFHSA-N 2 2 410.566 2.291 50 0 HEAALP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C ZINC000082098380 559037903 /nfs/dbraw/zinc/03/79/03/559037903.db2.gz YCDMGTXOVKOOMT-LJQANCHMSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1c(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C ZINC000082098380 559037905 /nfs/dbraw/zinc/03/79/05/559037905.db2.gz YCDMGTXOVKOOMT-LJQANCHMSA-N 2 2 410.566 2.116 50 0 HEAALP O=C(NCCCn1cccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109927 559039022 /nfs/dbraw/zinc/03/90/22/559039022.db2.gz KBSWKSRBYTXGOK-NRFANRHFSA-N 2 2 410.566 2.161 50 0 HEAALP O=C(NCCCn1cccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109927 559039024 /nfs/dbraw/zinc/03/90/24/559039024.db2.gz KBSWKSRBYTXGOK-NRFANRHFSA-N 2 2 410.566 2.161 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091643485 559072598 /nfs/dbraw/zinc/07/25/98/559072598.db2.gz TXTLOVIIYQTKMI-FQEVSTJZSA-N 2 2 400.567 2.179 50 0 HEAALP O=C(NC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091643485 559072599 /nfs/dbraw/zinc/07/25/99/559072599.db2.gz TXTLOVIIYQTKMI-FQEVSTJZSA-N 2 2 400.567 2.179 50 0 HEAALP CC(C)[N@H+](C)Cc1nnnn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012763931 568947161 /nfs/dbraw/zinc/94/71/61/568947161.db2.gz MQYLUOWARDUUTJ-FQEVSTJZSA-N 2 2 413.570 2.247 50 0 HEAALP CC(C)[N@@H+](C)Cc1nnnn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012763931 568947162 /nfs/dbraw/zinc/94/71/62/568947162.db2.gz MQYLUOWARDUUTJ-FQEVSTJZSA-N 2 2 413.570 2.247 50 0 HEAALP COc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000104632225 569009072 /nfs/dbraw/zinc/00/90/72/569009072.db2.gz KUVYUNDUODTELR-HXUWFJFHSA-N 2 2 419.566 2.165 50 0 HEAALP COc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000104632225 569009073 /nfs/dbraw/zinc/00/90/73/569009073.db2.gz KUVYUNDUODTELR-HXUWFJFHSA-N 2 2 419.566 2.165 50 0 HEAALP COc1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000104632225 569009074 /nfs/dbraw/zinc/00/90/74/569009074.db2.gz KUVYUNDUODTELR-HXUWFJFHSA-N 2 2 419.566 2.165 50 0 HEAALP COc1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000104632225 569009075 /nfs/dbraw/zinc/00/90/75/569009075.db2.gz KUVYUNDUODTELR-HXUWFJFHSA-N 2 2 419.566 2.165 50 0 HEAALP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000012984151 569047624 /nfs/dbraw/zinc/04/76/24/569047624.db2.gz LWVNPXWYLZWLAG-UHFFFAOYSA-N 2 2 401.536 2.007 50 0 HEAALP O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036255040 569120073 /nfs/dbraw/zinc/12/00/73/569120073.db2.gz VBHLUDLBURTHMZ-JOCHJYFZSA-N 2 2 418.626 2.482 50 0 HEAALP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060075 569163942 /nfs/dbraw/zinc/16/39/42/569163942.db2.gz RIVVOECKZMTAJY-UHFFFAOYSA-N 2 2 418.969 2.492 50 0 HEAALP O=C(NCc1ccc[nH+]c1N1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045032510 526771786 /nfs/dbraw/zinc/77/17/86/526771786.db2.gz GERQSLBEHCLVSB-UHFFFAOYSA-N 2 2 409.534 2.382 50 0 HEAALP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1C ZINC000011838330 536572644 /nfs/dbraw/zinc/57/26/44/536572644.db2.gz WCGTXWSXBQHYRD-FGZHOGPDSA-N 2 2 410.562 2.464 50 0 HEAALP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1C ZINC000011838330 536572653 /nfs/dbraw/zinc/57/26/53/536572653.db2.gz WCGTXWSXBQHYRD-FGZHOGPDSA-N 2 2 410.562 2.464 50 0 HEAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019899525 558304712 /nfs/dbraw/zinc/30/47/12/558304712.db2.gz ZRXWWPWDHIPZAG-RTWAWAEBSA-N 2 2 420.513 2.211 50 0 HEAALP Cn1cc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)cn1 ZINC000020453035 558367144 /nfs/dbraw/zinc/36/71/44/558367144.db2.gz YXJVLKYKRQPXNA-UHFFFAOYSA-N 2 2 409.578 2.455 50 0 HEAALP CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014927499 558679559 /nfs/dbraw/zinc/67/95/59/558679559.db2.gz QAVLKXBSJDPKDJ-UHFFFAOYSA-N 2 2 423.561 2.143 50 0 HEAALP CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014927499 558679562 /nfs/dbraw/zinc/67/95/62/558679562.db2.gz QAVLKXBSJDPKDJ-UHFFFAOYSA-N 2 2 423.561 2.143 50 0 HEAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc[nH+]3)CC2)cc1F ZINC000072442195 558982266 /nfs/dbraw/zinc/98/22/66/558982266.db2.gz ORZRVUFFBKYOPY-UHFFFAOYSA-N 2 2 413.501 2.030 50 0 HEAALP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126388 559039846 /nfs/dbraw/zinc/03/98/46/559039846.db2.gz WRJHLUUDRXIGQG-FQEVSTJZSA-N 3 2 401.599 2.214 50 0 HEAALP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126388 559039848 /nfs/dbraw/zinc/03/98/48/559039848.db2.gz WRJHLUUDRXIGQG-FQEVSTJZSA-N 3 2 401.599 2.214 50 0 HEAALP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000089346163 569058679 /nfs/dbraw/zinc/05/86/79/569058679.db2.gz CGKINWMJYFXDCF-UHFFFAOYSA-N 2 2 407.400 2.443 50 0 HEAALP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000089346163 569058680 /nfs/dbraw/zinc/05/86/80/569058680.db2.gz CGKINWMJYFXDCF-UHFFFAOYSA-N 2 2 407.400 2.443 50 0 HEAALP CC[C@@H](C)C(=O)N1CC[NH+]([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255091 569120286 /nfs/dbraw/zinc/12/02/86/569120286.db2.gz YJHXPKRMZUVULB-CTNGQTDRSA-N 2 2 406.615 2.338 50 0 HEAALP CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccco4)CC3)C2)CC1 ZINC000019743543 558264308 /nfs/dbraw/zinc/26/43/08/558264308.db2.gz QDLXDDUZBVDRMU-HXUWFJFHSA-N 2 2 404.555 2.483 50 0 HEAALP CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccco4)CC3)C2)CC1 ZINC000019743543 558264311 /nfs/dbraw/zinc/26/43/11/558264311.db2.gz QDLXDDUZBVDRMU-HXUWFJFHSA-N 2 2 404.555 2.483 50 0 HEAALP Cc1nc(C[NH2+]Cc2ccc(OC[C@H](O)CN3CC[NH+](C)CC3)cc2)sc1C ZINC000020514006 558382625 /nfs/dbraw/zinc/38/26/25/558382625.db2.gz UNILEHFMLRZBTI-LJQANCHMSA-N 2 2 404.580 2.037 50 0 HEAALP Cc1nc(C[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCN(C)CC3)cc2)sc1C ZINC000020514006 558382628 /nfs/dbraw/zinc/38/26/28/558382628.db2.gz UNILEHFMLRZBTI-LJQANCHMSA-N 2 2 404.580 2.037 50 0 HEAALP CCc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795730 558449613 /nfs/dbraw/zinc/44/96/13/558449613.db2.gz FUDYTPCEJVJFQT-UHFFFAOYSA-N 2 2 423.565 2.453 50 0 HEAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000021846954 558452262 /nfs/dbraw/zinc/45/22/62/558452262.db2.gz OVWUHJILIZCJOA-FQEVSTJZSA-N 2 2 408.546 2.247 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000072139198 558928982 /nfs/dbraw/zinc/92/89/82/558928982.db2.gz OJHSMJFOHAWGTG-UHFFFAOYSA-N 2 2 413.501 2.030 50 0 HEAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccc5ccccc54)CC3)[nH+]cn2)CC1 ZINC000077136005 558999528 /nfs/dbraw/zinc/99/95/28/558999528.db2.gz WBIFAXDYEAQJTJ-UHFFFAOYSA-N 2 2 416.529 2.344 50 0 HEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092330 559037172 /nfs/dbraw/zinc/03/71/72/559037172.db2.gz NWPDLMUJWSZULM-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092330 559037174 /nfs/dbraw/zinc/03/71/74/559037174.db2.gz NWPDLMUJWSZULM-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)o1 ZINC000082126509 559039893 /nfs/dbraw/zinc/03/98/93/559039893.db2.gz XCOTYBUEEWBADC-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)o1 ZINC000082126509 559039894 /nfs/dbraw/zinc/03/98/94/559039894.db2.gz XCOTYBUEEWBADC-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP Nc1ncccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127937 559040073 /nfs/dbraw/zinc/04/00/73/559040073.db2.gz NPBHMGSHCVXJMA-LJQANCHMSA-N 2 2 408.550 2.052 50 0 HEAALP Nc1ncccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127937 559040074 /nfs/dbraw/zinc/04/00/74/559040074.db2.gz NPBHMGSHCVXJMA-LJQANCHMSA-N 2 2 408.550 2.052 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082138275 559040435 /nfs/dbraw/zinc/04/04/35/559040435.db2.gz HDIDKXNHGLQFQC-HXUWFJFHSA-N 2 2 402.583 2.235 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082138275 559040436 /nfs/dbraw/zinc/04/04/36/559040436.db2.gz HDIDKXNHGLQFQC-HXUWFJFHSA-N 2 2 402.583 2.235 50 0 HEAALP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160402 559041794 /nfs/dbraw/zinc/04/17/94/559041794.db2.gz MOISYXIAJMNARD-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1c(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160402 559041795 /nfs/dbraw/zinc/04/17/95/559041795.db2.gz MOISYXIAJMNARD-HXUWFJFHSA-N 2 2 410.566 2.116 50 0 HEAALP COc1ccc(C[N@@H+]2CCCCC23CC3)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095500808 559082343 /nfs/dbraw/zinc/08/23/43/559082343.db2.gz VYRZMWYIGQJRCB-HXUWFJFHSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@H+]2CCCCC23CC3)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095500808 559082346 /nfs/dbraw/zinc/08/23/46/559082346.db2.gz VYRZMWYIGQJRCB-HXUWFJFHSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@@H+]2CCCCC23CC3)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095500808 559082348 /nfs/dbraw/zinc/08/23/48/559082348.db2.gz VYRZMWYIGQJRCB-HXUWFJFHSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@H+]2CCCCC23CC3)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095500808 559082350 /nfs/dbraw/zinc/08/23/50/559082350.db2.gz VYRZMWYIGQJRCB-HXUWFJFHSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cnn(C)c2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095520484 559085092 /nfs/dbraw/zinc/08/50/92/559085092.db2.gz AFXJIAPZOVZXDE-FQEVSTJZSA-N 2 2 402.539 2.205 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cnn(C)c2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095520484 559085094 /nfs/dbraw/zinc/08/50/94/559085094.db2.gz AFXJIAPZOVZXDE-FQEVSTJZSA-N 2 2 402.539 2.205 50 0 HEAALP CCOC(=O)c1n[nH]cc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](CCOC)CC1 ZINC000012305746 568464551 /nfs/dbraw/zinc/46/45/51/568464551.db2.gz IKJLHFFQQMNGNV-UHFFFAOYSA-N 2 2 415.538 2.342 50 0 HEAALP CCOC(=O)c1n[nH]cc1C[N@H+](Cc1ccncc1)CC1CC[NH+](CCOC)CC1 ZINC000012305746 568464552 /nfs/dbraw/zinc/46/45/52/568464552.db2.gz IKJLHFFQQMNGNV-UHFFFAOYSA-N 2 2 415.538 2.342 50 0 HEAALP CC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2N2CC[NH+](CC)CC2)CC1 ZINC000036001275 569075072 /nfs/dbraw/zinc/07/50/72/569075072.db2.gz PKVINNUQYYFGIO-UHFFFAOYSA-N 2 2 408.550 2.063 50 0 HEAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CC[C@H]([NH+](C)C)C4)CC3)CC2)n1 ZINC000055153631 569391378 /nfs/dbraw/zinc/39/13/78/569391378.db2.gz KEVAWTFLFXTJAD-QHCPKHFHSA-N 3 2 413.610 2.229 50 0 HEAALP COc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012553668 132363284 /nfs/dbraw/zinc/36/32/84/132363284.db2.gz IFECCFPBTXDKGN-UHFFFAOYSA-N 2 2 422.573 2.470 50 0 HEAALP CCCCc1[nH]c(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c[nH+]1 ZINC000012316704 558379988 /nfs/dbraw/zinc/37/99/88/558379988.db2.gz YMJFCYYLNOBBNJ-UHFFFAOYSA-N 2 2 417.598 2.288 50 0 HEAALP CCCCc1[nH]cc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)[nH+]1 ZINC000012316704 558379991 /nfs/dbraw/zinc/37/99/91/558379991.db2.gz YMJFCYYLNOBBNJ-UHFFFAOYSA-N 2 2 417.598 2.288 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000021795704 558449438 /nfs/dbraw/zinc/44/94/38/558449438.db2.gz GKBFYIDQGGHPFK-UHFFFAOYSA-N 2 2 413.501 2.030 50 0 HEAALP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015070154 558712373 /nfs/dbraw/zinc/71/23/73/558712373.db2.gz WRFCCCNVMCRBJP-NRFANRHFSA-N 2 2 400.519 2.365 50 0 HEAALP COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CC[NH+](Cc2ccon2)CC1 ZINC000015079791 558718405 /nfs/dbraw/zinc/71/84/05/558718405.db2.gz WHPLKWAEDVCVOB-UHFFFAOYSA-N 2 2 402.495 2.018 50 0 HEAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)[nH+]cn2)CC1 ZINC000072115990 558926934 /nfs/dbraw/zinc/92/69/34/558926934.db2.gz HXIFEIGQRSRWOI-UHFFFAOYSA-N 2 2 415.929 2.236 50 0 HEAALP Cc1[nH+]cn(-c2cc(NCCNS(=O)(=O)c3ccc(F)cc3)[nH+]c(C)n2)c1C ZINC000072119352 558927921 /nfs/dbraw/zinc/92/79/21/558927921.db2.gz VYURZNLLPNPBMH-UHFFFAOYSA-N 2 2 404.471 2.117 50 0 HEAALP CN(CC[NH+](C)C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072125700 558928292 /nfs/dbraw/zinc/92/82/92/558928292.db2.gz GQZMZDHDPHXSBX-JOCHJYFZSA-N 2 2 408.546 2.064 50 0 HEAALP CN(CC[NH+](C)C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072125700 558928294 /nfs/dbraw/zinc/92/82/94/558928294.db2.gz GQZMZDHDPHXSBX-JOCHJYFZSA-N 2 2 408.546 2.064 50 0 HEAALP CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036254995 559013054 /nfs/dbraw/zinc/01/30/54/559013054.db2.gz QAHBUPCGQWZPRQ-QFIPXVFZSA-N 2 2 406.615 2.338 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120913 559039603 /nfs/dbraw/zinc/03/96/03/559039603.db2.gz YGTQRBMYAVGRQM-OAQYLSRUSA-N 2 2 410.566 2.150 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120913 559039605 /nfs/dbraw/zinc/03/96/05/559039605.db2.gz YGTQRBMYAVGRQM-OAQYLSRUSA-N 2 2 410.566 2.150 50 0 HEAALP CN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1 ZINC000091270516 559070824 /nfs/dbraw/zinc/07/08/24/559070824.db2.gz KIQZOCWMRIKZFR-NRFANRHFSA-N 3 2 413.610 2.311 50 0 HEAALP CN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1 ZINC000091270516 559070827 /nfs/dbraw/zinc/07/08/27/559070827.db2.gz KIQZOCWMRIKZFR-NRFANRHFSA-N 3 2 413.610 2.311 50 0 HEAALP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc(N(C)C)c(C)c[nH+]1)C2 ZINC000095363856 559080027 /nfs/dbraw/zinc/08/00/27/559080027.db2.gz VTUCLNHNLPUFTI-KNKQGSTJSA-N 2 2 403.571 2.195 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cc(C)nn2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095521364 559085223 /nfs/dbraw/zinc/08/52/23/559085223.db2.gz OJOPENDSCYELMU-HXUWFJFHSA-N 2 2 402.539 2.205 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cc(C)nn2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095521364 559085225 /nfs/dbraw/zinc/08/52/25/559085225.db2.gz OJOPENDSCYELMU-HXUWFJFHSA-N 2 2 402.539 2.205 50 0 HEAALP COc1cccc(C[N@H+](C)Cc2ccncc2C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000096416631 559110215 /nfs/dbraw/zinc/11/02/15/559110215.db2.gz HSCBFPGVXRJLJT-NRFANRHFSA-N 2 2 415.534 2.103 50 0 HEAALP COc1cccc(C[N@@H+](C)Cc2ccncc2C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000096416631 559110217 /nfs/dbraw/zinc/11/02/17/559110217.db2.gz HSCBFPGVXRJLJT-NRFANRHFSA-N 2 2 415.534 2.103 50 0 HEAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000101374345 560793494 /nfs/dbraw/zinc/79/34/94/560793494.db2.gz XFYDTKMUNMUYDH-UHFFFAOYSA-N 2 2 415.559 2.212 50 0 HEAALP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000170598327 569242384 /nfs/dbraw/zinc/24/23/84/569242384.db2.gz CQRDQDSHTPCOIZ-GOSISDBHSA-N 2 2 423.583 2.160 50 0 HEAALP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972805 569422549 /nfs/dbraw/zinc/42/25/49/569422549.db2.gz FNXBHKZKWSKYRN-MSOLQXFVSA-N 2 2 407.530 2.205 50 0 HEAALP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008734780 571109562 /nfs/dbraw/zinc/10/95/62/571109562.db2.gz CXEUJWRPZPBLNN-KRWDZBQOSA-N 2 2 411.502 2.407 50 0 HEAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1 ZINC000040151497 571199364 /nfs/dbraw/zinc/19/93/64/571199364.db2.gz LRFQXGRGIOXJNX-UHFFFAOYSA-N 2 2 404.374 2.096 50 0 HEAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1 ZINC000040151497 571199366 /nfs/dbraw/zinc/19/93/66/571199366.db2.gz LRFQXGRGIOXJNX-UHFFFAOYSA-N 2 2 404.374 2.096 50 0 HEAALP C[NH+](C)CCNC(=O)c1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684303 571316355 /nfs/dbraw/zinc/31/63/55/571316355.db2.gz ORMGFGOXYXUBFX-UHFFFAOYSA-N 2 2 424.545 2.025 50 0 HEAALP C[NH+](C)CCNC(=O)c1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684303 571316356 /nfs/dbraw/zinc/31/63/56/571316356.db2.gz ORMGFGOXYXUBFX-UHFFFAOYSA-N 2 2 424.545 2.025 50 0 HEAALP OCc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741779 558262221 /nfs/dbraw/zinc/26/22/21/558262221.db2.gz BPDLYGNHKVPCHV-LJQANCHMSA-N 2 2 413.518 2.283 50 0 HEAALP OCc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741779 558262222 /nfs/dbraw/zinc/26/22/22/558262222.db2.gz BPDLYGNHKVPCHV-LJQANCHMSA-N 2 2 413.518 2.283 50 0 HEAALP COC[C@@H]1CCCC[N@@H+]1Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12 ZINC000019794417 558283755 /nfs/dbraw/zinc/28/37/55/558283755.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 2 2 405.568 2.174 50 0 HEAALP COC[C@@H]1CCCC[N@H+]1Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12 ZINC000019794417 558283758 /nfs/dbraw/zinc/28/37/58/558283758.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 2 2 405.568 2.174 50 0 HEAALP COC[C@@H]1CCCC[NH+]1Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000019794417 558283762 /nfs/dbraw/zinc/28/37/62/558283762.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 2 2 405.568 2.174 50 0 HEAALP COC[C@@H]1CCCC[NH+]1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000019794417 558283766 /nfs/dbraw/zinc/28/37/66/558283766.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 2 2 405.568 2.174 50 0 HEAALP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011954543 558303263 /nfs/dbraw/zinc/30/32/63/558303263.db2.gz HMDPGXOMKKIJLR-OAQYLSRUSA-N 2 2 400.519 2.365 50 0 HEAALP CC1CC[NH+](Cc2nnnn2CCCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000012433764 558407644 /nfs/dbraw/zinc/40/76/44/558407644.db2.gz KGXAVRDDUUGRAL-GOSISDBHSA-N 2 2 416.574 2.113 50 0 HEAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NCC(C)(C)CO)c3)CC2)CC1 ZINC000012706689 558450226 /nfs/dbraw/zinc/45/02/26/558450226.db2.gz HCXCZGHAOCBMEB-UHFFFAOYSA-N 2 2 403.567 2.372 50 0 HEAALP Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc[nH+]3)CC2)c1 ZINC000072115523 558926812 /nfs/dbraw/zinc/92/68/12/558926812.db2.gz DIAUSCAMYZUIBZ-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP CCN1CC[NH+](CCCN2CC3(CC[NH+](Cc4ccc(C)o4)CC3)OC2=O)CC1 ZINC000072431828 558979373 /nfs/dbraw/zinc/97/93/73/558979373.db2.gz WSWITJRMDCPJQM-UHFFFAOYSA-N 2 2 404.555 2.402 50 0 HEAALP Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[nH+]cn1 ZINC000067612481 558988950 /nfs/dbraw/zinc/98/89/50/558988950.db2.gz POXOLTVZZLMMJV-UHFFFAOYSA-N 2 2 412.519 2.098 50 0 HEAALP CN(CCn1cccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099645 559038079 /nfs/dbraw/zinc/03/80/79/559038079.db2.gz JTNIPBAWRZCNFO-NRFANRHFSA-N 2 2 410.566 2.113 50 0 HEAALP CN(CCn1cccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099645 559038080 /nfs/dbraw/zinc/03/80/80/559038080.db2.gz JTNIPBAWRZCNFO-NRFANRHFSA-N 2 2 410.566 2.113 50 0 HEAALP COc1ccc(C[N@@H+]2CCCCC23CC3)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095500807 559082333 /nfs/dbraw/zinc/08/23/33/559082333.db2.gz VYRZMWYIGQJRCB-FQEVSTJZSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@H+]2CCCCC23CC3)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095500807 559082335 /nfs/dbraw/zinc/08/23/35/559082335.db2.gz VYRZMWYIGQJRCB-FQEVSTJZSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@@H+]2CCCCC23CC3)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095500807 559082337 /nfs/dbraw/zinc/08/23/37/559082337.db2.gz VYRZMWYIGQJRCB-FQEVSTJZSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@H+]2CCCCC23CC3)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095500807 559082340 /nfs/dbraw/zinc/08/23/40/559082340.db2.gz VYRZMWYIGQJRCB-FQEVSTJZSA-N 2 2 403.567 2.201 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cc(C)nn2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095521365 559085263 /nfs/dbraw/zinc/08/52/63/559085263.db2.gz OJOPENDSCYELMU-FQEVSTJZSA-N 2 2 402.539 2.205 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cc(C)nn2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095521365 559085265 /nfs/dbraw/zinc/08/52/65/559085265.db2.gz OJOPENDSCYELMU-FQEVSTJZSA-N 2 2 402.539 2.205 50 0 HEAALP C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000219422940 568491744 /nfs/dbraw/zinc/49/17/44/568491744.db2.gz LHAQZFIPMPJJBR-SFHVURJKSA-N 2 2 400.523 2.053 50 0 HEAALP C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000219422940 568491746 /nfs/dbraw/zinc/49/17/46/568491746.db2.gz LHAQZFIPMPJJBR-SFHVURJKSA-N 2 2 400.523 2.053 50 0 HEAALP CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000015773288 568998795 /nfs/dbraw/zinc/99/87/95/568998795.db2.gz VGVZYYSLGZSLOD-QHCPKHFHSA-N 2 2 412.578 2.421 50 0 HEAALP O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007362311 132324082 /nfs/dbraw/zinc/32/40/82/132324082.db2.gz SFRMOKHVQRZSTE-IBGZPJMESA-N 2 2 408.502 2.339 50 0 HEAALP O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007362311 132324084 /nfs/dbraw/zinc/32/40/84/132324084.db2.gz SFRMOKHVQRZSTE-IBGZPJMESA-N 2 2 408.502 2.339 50 0 HEAALP CCn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538931 523371245 /nfs/dbraw/zinc/37/12/45/523371245.db2.gz GSQRRZWGMWPFMM-OAQYLSRUSA-N 2 2 411.550 2.414 50 0 HEAALP CCn1cc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538931 523371252 /nfs/dbraw/zinc/37/12/52/523371252.db2.gz GSQRRZWGMWPFMM-OAQYLSRUSA-N 2 2 411.550 2.414 50 0 HEAALP COCc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)o1 ZINC000011774891 558274895 /nfs/dbraw/zinc/27/48/95/558274895.db2.gz AXOOKWQSJKXOML-HXUWFJFHSA-N 2 2 419.566 2.398 50 0 HEAALP COc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000020208675 558347214 /nfs/dbraw/zinc/34/72/14/558347214.db2.gz JTMNIXJMAGCICP-LJQANCHMSA-N 2 2 422.472 2.335 50 0 HEAALP CCOc1cc(C[N@@H+]2CC[C@@H]([NH+]3CCOCC3)[C@@H](CCC(=O)OC)C2)ccc1O ZINC000020351912 558356934 /nfs/dbraw/zinc/35/69/34/558356934.db2.gz UEERLYDYUAICBS-RBUKOAKNSA-N 2 2 406.523 2.267 50 0 HEAALP CCOc1cc(C[N@H+]2CC[C@@H]([NH+]3CCOCC3)[C@@H](CCC(=O)OC)C2)ccc1O ZINC000020351912 558356935 /nfs/dbraw/zinc/35/69/35/558356935.db2.gz UEERLYDYUAICBS-RBUKOAKNSA-N 2 2 406.523 2.267 50 0 HEAALP Cc1c(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455137 558368883 /nfs/dbraw/zinc/36/88/83/558368883.db2.gz UWPUJFQOVWLCIS-OAQYLSRUSA-N 2 2 411.550 2.239 50 0 HEAALP Cc1c(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455137 558368886 /nfs/dbraw/zinc/36/88/86/558368886.db2.gz UWPUJFQOVWLCIS-OAQYLSRUSA-N 2 2 411.550 2.239 50 0 HEAALP CC1CC[NH+](Cc2nnnn2CCCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000012433763 558407658 /nfs/dbraw/zinc/40/76/58/558407658.db2.gz KGXAVRDDUUGRAL-SFHVURJKSA-N 2 2 416.574 2.113 50 0 HEAALP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3csc(C)n3)c2)CC1 ZINC000020782381 558413246 /nfs/dbraw/zinc/41/32/46/558413246.db2.gz VNZZIPLVURRNSP-NRFANRHFSA-N 2 2 418.607 2.461 50 0 HEAALP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3csc(C)n3)c2)CC1 ZINC000020782381 558413250 /nfs/dbraw/zinc/41/32/50/558413250.db2.gz VNZZIPLVURRNSP-NRFANRHFSA-N 2 2 418.607 2.461 50 0 HEAALP COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020878096 558419750 /nfs/dbraw/zinc/41/97/50/558419750.db2.gz ZWHXIYDJMQBEEG-IBGZPJMESA-N 2 2 419.591 2.342 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000021794598 558449360 /nfs/dbraw/zinc/44/93/60/558449360.db2.gz HNUWGNCKTKRGRX-UHFFFAOYSA-N 2 2 414.941 2.153 50 0 HEAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH+]3CCCCCC3)cc2OC)CC1 ZINC000023360742 558552198 /nfs/dbraw/zinc/55/21/98/558552198.db2.gz FHKPFJAZNCQADV-NRFANRHFSA-N 2 2 405.583 2.448 50 0 HEAALP CCc1nnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082086673 559036799 /nfs/dbraw/zinc/03/67/99/559036799.db2.gz UWMCJAPQEWHQHW-GOSISDBHSA-N 2 2 412.538 2.020 50 0 HEAALP CCc1nnc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082086673 559036800 /nfs/dbraw/zinc/03/68/00/559036800.db2.gz UWMCJAPQEWHQHW-GOSISDBHSA-N 2 2 412.538 2.020 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082096535 559037324 /nfs/dbraw/zinc/03/73/24/559037324.db2.gz VFLPEVCBKOXRLZ-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082096535 559037325 /nfs/dbraw/zinc/03/73/25/559037325.db2.gz VFLPEVCBKOXRLZ-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP CN(CCC(C)(C)O)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109116 559038878 /nfs/dbraw/zinc/03/88/78/559038878.db2.gz MZNYMLAVYBKZAM-FQEVSTJZSA-N 2 2 402.583 2.377 50 0 HEAALP CN(CCC(C)(C)O)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109116 559038879 /nfs/dbraw/zinc/03/88/79/559038879.db2.gz MZNYMLAVYBKZAM-FQEVSTJZSA-N 2 2 402.583 2.377 50 0 HEAALP COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000095500969 559082373 /nfs/dbraw/zinc/08/23/73/559082373.db2.gz YCMNOJIJLZURAP-LJQANCHMSA-N 2 2 403.567 2.129 50 0 HEAALP CN(CC[NH+]1CCCCC1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000012373243 568517402 /nfs/dbraw/zinc/51/74/02/568517402.db2.gz XJEMLQMTIKCUQO-HSZRJFAPSA-N 2 2 422.573 2.475 50 0 HEAALP CN(CC[NH+]1CCCCC1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000012373243 568517403 /nfs/dbraw/zinc/51/74/03/568517403.db2.gz XJEMLQMTIKCUQO-HSZRJFAPSA-N 2 2 422.573 2.475 50 0 HEAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000017012462 569271563 /nfs/dbraw/zinc/27/15/63/569271563.db2.gz WOFKRMSVHGVNKP-UHFFFAOYSA-N 2 2 414.941 2.153 50 0 HEAALP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404722 569365823 /nfs/dbraw/zinc/36/58/23/569365823.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000253404722 569365824 /nfs/dbraw/zinc/36/58/24/569365824.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404722 569365826 /nfs/dbraw/zinc/36/58/26/569365826.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 2 2 423.561 2.408 50 0 HEAALP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000253404722 569365828 /nfs/dbraw/zinc/36/58/28/569365828.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 2 2 423.561 2.408 50 0 HEAALP C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000012719032 132366214 /nfs/dbraw/zinc/36/62/14/132366214.db2.gz YQEACOUVNGXZHQ-FQEVSTJZSA-N 2 2 408.550 2.294 50 0 HEAALP C[N@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000012719032 132366215 /nfs/dbraw/zinc/36/62/15/132366215.db2.gz YQEACOUVNGXZHQ-FQEVSTJZSA-N 2 2 408.550 2.294 50 0 HEAALP C[NH+]1CCN(c2nc3nnnn3c3sc4c(c32)CC[N@@H+](Cc2ccccc2)C4)CC1 ZINC000002330068 536425510 /nfs/dbraw/zinc/42/55/10/536425510.db2.gz PIXOHQKBZAHKAO-UHFFFAOYSA-N 2 2 420.546 2.044 50 0 HEAALP C[NH+]1CCN(c2nc3nnnn3c3sc4c(c32)CC[N@H+](Cc2ccccc2)C4)CC1 ZINC000002330068 536425513 /nfs/dbraw/zinc/42/55/13/536425513.db2.gz PIXOHQKBZAHKAO-UHFFFAOYSA-N 2 2 420.546 2.044 50 0 HEAALP COc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000020783829 558413521 /nfs/dbraw/zinc/41/35/21/558413521.db2.gz SGGYUNDUVJADJR-NRFANRHFSA-N 2 2 418.509 2.239 50 0 HEAALP c1cnn(CCC[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374523 558554099 /nfs/dbraw/zinc/55/40/99/558554099.db2.gz JFEPOOICANOCSS-NRFANRHFSA-N 2 2 411.550 2.284 50 0 HEAALP c1cnn(CCC[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374523 558554102 /nfs/dbraw/zinc/55/41/02/558554102.db2.gz JFEPOOICANOCSS-NRFANRHFSA-N 2 2 411.550 2.284 50 0 HEAALP COc1ccc(C[NH+]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000024054878 558587177 /nfs/dbraw/zinc/58/71/77/558587177.db2.gz RWVKAACUUUIWEO-UHFFFAOYSA-N 2 2 423.565 2.403 50 0 HEAALP Cc1cccc(N2CC[NH+](C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)[nH+]1 ZINC000014980849 558691375 /nfs/dbraw/zinc/69/13/75/558691375.db2.gz LOAUYXLMVPSBLQ-DEOSSOPVSA-N 2 2 408.546 2.108 50 0 HEAALP Cc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416333 558897649 /nfs/dbraw/zinc/89/76/49/558897649.db2.gz GIIHFZVQSISRON-FQEVSTJZSA-N 2 2 408.550 2.486 50 0 HEAALP Cc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416333 558897651 /nfs/dbraw/zinc/89/76/51/558897651.db2.gz GIIHFZVQSISRON-FQEVSTJZSA-N 2 2 408.550 2.486 50 0 HEAALP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077388591 559003370 /nfs/dbraw/zinc/00/33/70/559003370.db2.gz WENBOEQORBUGOL-GOSISDBHSA-N 2 2 405.502 2.166 50 0 HEAALP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077388591 559003371 /nfs/dbraw/zinc/00/33/71/559003371.db2.gz WENBOEQORBUGOL-GOSISDBHSA-N 2 2 405.502 2.166 50 0 HEAALP Cc1cnn(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082092005 559037091 /nfs/dbraw/zinc/03/70/91/559037091.db2.gz LOTQCNDKXSRZIG-NRFANRHFSA-N 2 2 410.566 2.079 50 0 HEAALP Cc1cnn(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082092005 559037092 /nfs/dbraw/zinc/03/70/92/559037092.db2.gz LOTQCNDKXSRZIG-NRFANRHFSA-N 2 2 410.566 2.079 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106950 559038280 /nfs/dbraw/zinc/03/82/80/559038280.db2.gz TYSPHVSLJCVNKE-FQEVSTJZSA-N 2 2 402.583 2.235 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106950 559038281 /nfs/dbraw/zinc/03/82/81/559038281.db2.gz TYSPHVSLJCVNKE-FQEVSTJZSA-N 2 2 402.583 2.235 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082138276 559040458 /nfs/dbraw/zinc/04/04/58/559040458.db2.gz HDIDKXNHGLQFQC-FQEVSTJZSA-N 2 2 402.583 2.235 50 0 HEAALP CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082138276 559040459 /nfs/dbraw/zinc/04/04/59/559040459.db2.gz HDIDKXNHGLQFQC-FQEVSTJZSA-N 2 2 402.583 2.235 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091548812 559072108 /nfs/dbraw/zinc/07/21/08/559072108.db2.gz QNEZIRQMJSRNLK-QFIPXVFZSA-N 3 2 413.610 2.312 50 0 HEAALP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091548812 559072110 /nfs/dbraw/zinc/07/21/10/559072110.db2.gz QNEZIRQMJSRNLK-QFIPXVFZSA-N 3 2 413.610 2.312 50 0 HEAALP C[NH+](CCC[N@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000020760761 568642195 /nfs/dbraw/zinc/64/21/95/568642195.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 2 2 421.545 2.497 50 0 biogenic HEAALP C[NH+](CCC[N@@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000020760761 568642198 /nfs/dbraw/zinc/64/21/98/568642198.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 2 2 421.545 2.497 50 0 biogenic HEAALP C[NH+](CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)CCC[N@H+](C)Cc1ccccc1 ZINC000020760761 568642201 /nfs/dbraw/zinc/64/22/01/568642201.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 2 2 421.545 2.497 50 0 biogenic HEAALP C[NH+](CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)CCC[N@@H+](C)Cc1ccccc1 ZINC000020760761 568642204 /nfs/dbraw/zinc/64/22/04/568642204.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 2 2 421.545 2.497 50 0 biogenic HEAALP CC[C@@](C)(CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162315 568916724 /nfs/dbraw/zinc/91/67/24/568916724.db2.gz ZMKFWSWKFNFETD-GGAORHGYSA-N 2 2 418.582 2.168 50 0 HEAALP Cc1cccc(OC[C@H](O)Cn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])c1 ZINC000000809652 557087237 /nfs/dbraw/zinc/08/72/37/557087237.db2.gz UAKNBDXKLQMIMS-LJQANCHMSA-N 2 2 410.518 2.003 50 0 HEAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014538284 558659033 /nfs/dbraw/zinc/65/90/33/558659033.db2.gz ZGTXIVPUEKQOOT-FGZHOGPDSA-N 3 2 409.578 2.345 50 0 HEAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014538284 558659035 /nfs/dbraw/zinc/65/90/35/558659035.db2.gz ZGTXIVPUEKQOOT-FGZHOGPDSA-N 3 2 409.578 2.345 50 0 HEAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014538284 558659036 /nfs/dbraw/zinc/65/90/36/558659036.db2.gz ZGTXIVPUEKQOOT-FGZHOGPDSA-N 3 2 409.578 2.345 50 0 HEAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014538284 558659038 /nfs/dbraw/zinc/65/90/38/558659038.db2.gz ZGTXIVPUEKQOOT-FGZHOGPDSA-N 3 2 409.578 2.345 50 0 HEAALP CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014732392 558665736 /nfs/dbraw/zinc/66/57/36/558665736.db2.gz HEXJSOPUKYEBLA-DBVUQKKJSA-N 2 2 418.607 2.291 50 0 HEAALP CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014732392 558665739 /nfs/dbraw/zinc/66/57/39/558665739.db2.gz HEXJSOPUKYEBLA-DBVUQKKJSA-N 2 2 418.607 2.291 50 0 HEAALP COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015068717 558711135 /nfs/dbraw/zinc/71/11/35/558711135.db2.gz FLCAEJHSKQFNQX-FQEVSTJZSA-N 2 2 404.482 2.196 50 0 HEAALP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CO ZINC000019144877 558846589 /nfs/dbraw/zinc/84/65/89/558846589.db2.gz KTVWSGBBBGPVQX-ZWCUEREDSA-N 2 2 412.509 2.499 50 0 HEAALP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CO ZINC000019144877 558846592 /nfs/dbraw/zinc/84/65/92/558846592.db2.gz KTVWSGBBBGPVQX-ZWCUEREDSA-N 2 2 412.509 2.499 50 0 HEAALP Cc1ccc(C(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)cc1C ZINC000072115533 558926646 /nfs/dbraw/zinc/92/66/46/558926646.db2.gz SPZRWWOZMNPRQW-UHFFFAOYSA-N 2 2 408.550 2.116 50 0 HEAALP Cc1cnn(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082092003 559037076 /nfs/dbraw/zinc/03/70/76/559037076.db2.gz LOTQCNDKXSRZIG-OAQYLSRUSA-N 2 2 410.566 2.079 50 0 HEAALP Cc1cnn(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082092003 559037078 /nfs/dbraw/zinc/03/70/78/559037078.db2.gz LOTQCNDKXSRZIG-OAQYLSRUSA-N 2 2 410.566 2.079 50 0 HEAALP CCn1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000082107582 559038509 /nfs/dbraw/zinc/03/85/09/559038509.db2.gz CZTPZQUGKDPKAO-NRFANRHFSA-N 2 2 410.566 2.291 50 0 HEAALP CCn1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cn1 ZINC000082107582 559038510 /nfs/dbraw/zinc/03/85/10/559038510.db2.gz CZTPZQUGKDPKAO-NRFANRHFSA-N 2 2 410.566 2.291 50 0 HEAALP Cc1nnsc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109413 559038869 /nfs/dbraw/zinc/03/88/69/559038869.db2.gz QNGSZUVOILBGHH-GOSISDBHSA-N 2 2 414.579 2.234 50 0 HEAALP Cc1nnsc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082109413 559038870 /nfs/dbraw/zinc/03/88/70/559038870.db2.gz QNGSZUVOILBGHH-GOSISDBHSA-N 2 2 414.579 2.234 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082121931 559039675 /nfs/dbraw/zinc/03/96/75/559039675.db2.gz LVTBACKZUNXHRG-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000082121931 559039677 /nfs/dbraw/zinc/03/96/77/559039677.db2.gz LVTBACKZUNXHRG-LJQANCHMSA-N 2 2 412.538 2.108 50 0 HEAALP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126385 559039903 /nfs/dbraw/zinc/03/99/03/559039903.db2.gz WRJHLUUDRXIGQG-HXUWFJFHSA-N 3 2 401.599 2.214 50 0 HEAALP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082126385 559039905 /nfs/dbraw/zinc/03/99/05/559039905.db2.gz WRJHLUUDRXIGQG-HXUWFJFHSA-N 3 2 401.599 2.214 50 0 HEAALP CC[C@@](C)(CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162306 568916692 /nfs/dbraw/zinc/91/66/92/568916692.db2.gz ZMKFWSWKFNFETD-GMAHTHKFSA-N 2 2 418.582 2.168 50 0 HEAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000021794594 569008080 /nfs/dbraw/zinc/00/80/80/569008080.db2.gz HRBKDEFJENTICJ-UHFFFAOYSA-N 2 2 414.941 2.153 50 0 HEAALP COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(O)c(C[NH+]3CCCC3)n1C)CC2 ZINC000085876445 569009556 /nfs/dbraw/zinc/00/95/56/569009556.db2.gz FUKTULUWUXEASG-UHFFFAOYSA-N 2 2 413.518 2.262 50 0 biogenic HEAALP COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(O)c(C[NH+]3CCCC3)n1C)CC2 ZINC000085876445 569009557 /nfs/dbraw/zinc/00/95/57/569009557.db2.gz FUKTULUWUXEASG-UHFFFAOYSA-N 2 2 413.518 2.262 50 0 biogenic HEAALP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000007349246 132323865 /nfs/dbraw/zinc/32/38/65/132323865.db2.gz UIDCMQDULHCGJM-HXUWFJFHSA-N 2 2 408.546 2.420 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011753936 558272778 /nfs/dbraw/zinc/27/27/78/558272778.db2.gz ZZNTUOOQRLEJED-FQEVSTJZSA-N 2 2 400.523 2.343 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011753936 558272781 /nfs/dbraw/zinc/27/27/81/558272781.db2.gz ZZNTUOOQRLEJED-FQEVSTJZSA-N 2 2 400.523 2.343 50 0 HEAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019899522 558304875 /nfs/dbraw/zinc/30/48/75/558304875.db2.gz ZRXWWPWDHIPZAG-NHCUHLMSSA-N 2 2 420.513 2.211 50 0 HEAALP COc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000020783832 558413509 /nfs/dbraw/zinc/41/35/09/558413509.db2.gz SGGYUNDUVJADJR-OAQYLSRUSA-N 2 2 418.509 2.239 50 0 HEAALP COc1cccc(OC)c1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020999210 558427709 /nfs/dbraw/zinc/42/77/09/558427709.db2.gz WPFATBLXOKXAKK-FQEVSTJZSA-N 2 2 405.583 2.445 50 0 HEAALP COc1cccc(OC)c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020999210 558427711 /nfs/dbraw/zinc/42/77/11/558427711.db2.gz WPFATBLXOKXAKK-FQEVSTJZSA-N 2 2 405.583 2.445 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020999001 558427725 /nfs/dbraw/zinc/42/77/25/558427725.db2.gz RQFWKNXVWFBYGU-FQEVSTJZSA-N 2 2 417.550 2.216 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020999001 558427727 /nfs/dbraw/zinc/42/77/27/558427727.db2.gz RQFWKNXVWFBYGU-FQEVSTJZSA-N 2 2 417.550 2.216 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020999001 558427729 /nfs/dbraw/zinc/42/77/29/558427729.db2.gz RQFWKNXVWFBYGU-FQEVSTJZSA-N 2 2 417.550 2.216 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020999001 558427730 /nfs/dbraw/zinc/42/77/30/558427730.db2.gz RQFWKNXVWFBYGU-FQEVSTJZSA-N 2 2 417.550 2.216 50 0 HEAALP Cc1cc(N2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000028891251 558706728 /nfs/dbraw/zinc/70/67/28/558706728.db2.gz BYIBFAGEJOZFQQ-UHFFFAOYSA-N 2 2 410.522 2.158 50 0 HEAALP O=C(c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1)N1CC[NH+](CCO)CC1 ZINC000015065567 558708408 /nfs/dbraw/zinc/70/84/08/558708408.db2.gz YWOIOPADMVAYRZ-UHFFFAOYSA-N 2 2 401.551 2.223 50 0 HEAALP COc1cccc(C[N@H+](C)CCC2CCOCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000039353964 558820185 /nfs/dbraw/zinc/82/01/85/558820185.db2.gz XYTLGQKJYINABY-NRFANRHFSA-N 2 2 422.566 2.016 50 0 HEAALP COc1cccc(C[N@@H+](C)CCC2CCOCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000039353964 558820186 /nfs/dbraw/zinc/82/01/86/558820186.db2.gz XYTLGQKJYINABY-NRFANRHFSA-N 2 2 422.566 2.016 50 0 HEAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1)N1CCOCC1 ZINC000055196966 558875505 /nfs/dbraw/zinc/87/55/05/558875505.db2.gz UDGBPFKJRTYXJS-UHFFFAOYSA-N 2 2 413.562 2.157 50 0 HEAALP CC(C)CN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071405708 558897725 /nfs/dbraw/zinc/89/77/25/558897725.db2.gz YLENJRYMBBYWGA-OAQYLSRUSA-N 2 2 402.583 2.235 50 0 HEAALP CC(C)CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071405708 558897726 /nfs/dbraw/zinc/89/77/26/558897726.db2.gz YLENJRYMBBYWGA-OAQYLSRUSA-N 2 2 402.583 2.235 50 0 HEAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760348 558910031 /nfs/dbraw/zinc/91/00/31/558910031.db2.gz KFAHGVFLSAOWAU-SFHVURJKSA-N 2 2 416.566 2.398 50 0 HEAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760348 558910035 /nfs/dbraw/zinc/91/00/35/558910035.db2.gz KFAHGVFLSAOWAU-SFHVURJKSA-N 2 2 416.566 2.398 50 0 HEAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000082107133 559038377 /nfs/dbraw/zinc/03/83/77/559038377.db2.gz UOEUYIAUMVZHMQ-SFHVURJKSA-N 2 2 412.534 2.160 50 0 HEAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000082107133 559038378 /nfs/dbraw/zinc/03/83/78/559038378.db2.gz UOEUYIAUMVZHMQ-SFHVURJKSA-N 2 2 412.534 2.160 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108008 559038545 /nfs/dbraw/zinc/03/85/45/559038545.db2.gz ZTXUERZRKGFQCK-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108008 559038547 /nfs/dbraw/zinc/03/85/47/559038547.db2.gz ZTXUERZRKGFQCK-FQEVSTJZSA-N 2 2 410.566 2.116 50 0 HEAALP COCC1(N(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082108602 559038603 /nfs/dbraw/zinc/03/86/03/559038603.db2.gz IYQRYSKOEDXMNR-FQEVSTJZSA-N 2 2 400.567 2.395 50 0 HEAALP COCC1(N(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082108602 559038604 /nfs/dbraw/zinc/03/86/04/559038604.db2.gz IYQRYSKOEDXMNR-FQEVSTJZSA-N 2 2 400.567 2.395 50 0 HEAALP Cc1ccn(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082136943 559040317 /nfs/dbraw/zinc/04/03/17/559040317.db2.gz MDXUFWJUOONCII-NRFANRHFSA-N 2 2 410.566 2.079 50 0 HEAALP Cc1ccn(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082136943 559040319 /nfs/dbraw/zinc/04/03/19/559040319.db2.gz MDXUFWJUOONCII-NRFANRHFSA-N 2 2 410.566 2.079 50 0 HEAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082139190 559040665 /nfs/dbraw/zinc/04/06/65/559040665.db2.gz YVSHVKRFECMLLZ-HXUWFJFHSA-N 2 2 410.566 2.448 50 0 HEAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082139190 559040666 /nfs/dbraw/zinc/04/06/66/559040666.db2.gz YVSHVKRFECMLLZ-HXUWFJFHSA-N 2 2 410.566 2.448 50 0 HEAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095388454 559080875 /nfs/dbraw/zinc/08/08/75/559080875.db2.gz OYJBYSGDPYSHOJ-WOUAJJJCSA-N 2 2 402.514 2.365 50 0 HEAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095388454 559080876 /nfs/dbraw/zinc/08/08/76/559080876.db2.gz OYJBYSGDPYSHOJ-WOUAJJJCSA-N 2 2 402.514 2.365 50 0 HEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095388454 559080877 /nfs/dbraw/zinc/08/08/77/559080877.db2.gz OYJBYSGDPYSHOJ-WOUAJJJCSA-N 2 2 402.514 2.365 50 0 HEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095388454 559080878 /nfs/dbraw/zinc/08/08/78/559080878.db2.gz OYJBYSGDPYSHOJ-WOUAJJJCSA-N 2 2 402.514 2.365 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2nccn2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095529066 559086489 /nfs/dbraw/zinc/08/64/89/559086489.db2.gz ZDIYEPLFXZUPKY-IBGZPJMESA-N 2 2 402.539 2.286 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2nccn2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095529066 559086491 /nfs/dbraw/zinc/08/64/91/559086491.db2.gz ZDIYEPLFXZUPKY-IBGZPJMESA-N 2 2 402.539 2.286 50 0 HEAALP COc1ccc(CN(C)Cc2[nH+]ccn2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095529066 559086493 /nfs/dbraw/zinc/08/64/93/559086493.db2.gz ZDIYEPLFXZUPKY-IBGZPJMESA-N 2 2 402.539 2.286 50 0 HEAALP C[C@H](C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000096013617 568685379 /nfs/dbraw/zinc/68/53/79/568685379.db2.gz PKKLOEZGSQXPHV-IBGZPJMESA-N 2 2 402.564 2.002 50 0 HEAALP O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000670455393 568931480 /nfs/dbraw/zinc/93/14/80/568931480.db2.gz RLFXILMSMGNZCJ-YAQMXYOYSA-N 2 2 413.525 2.374 50 0 HEAALP O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000670455393 568931482 /nfs/dbraw/zinc/93/14/82/568931482.db2.gz RLFXILMSMGNZCJ-YAQMXYOYSA-N 2 2 413.525 2.374 50 0 HEAALP C[NH+]1CCN(c2ccccc2NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000089382795 569058779 /nfs/dbraw/zinc/05/87/79/569058779.db2.gz QTRVALKNWRMIJX-HXUWFJFHSA-N 2 2 414.598 2.072 50 0 HEAALP CC(C)C[NH+]1CCN(C(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)CC1 ZINC000065239821 569203467 /nfs/dbraw/zinc/20/34/67/569203467.db2.gz KLTOGGGTRJDHPD-UHFFFAOYSA-N 2 2 411.554 2.312 50 0 HEAALP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)Nc1ccccc1Cl ZINC000032776720 522674727 /nfs/dbraw/zinc/67/47/27/522674727.db2.gz FLADRKJGHMABSV-UHFFFAOYSA-N 2 2 415.925 2.344 50 0 HEAALP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)Nc1ccccc1Cl ZINC000032776720 522674736 /nfs/dbraw/zinc/67/47/36/522674736.db2.gz FLADRKJGHMABSV-UHFFFAOYSA-N 2 2 415.925 2.344 50 0 HEAALP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020598639 524072988 /nfs/dbraw/zinc/07/29/88/524072988.db2.gz OMAPSWSXOMQXQS-JOCHJYFZSA-N 2 2 413.562 2.281 50 0 HEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)CC1 ZINC000019841151 558294160 /nfs/dbraw/zinc/29/41/60/558294160.db2.gz ROZPEQHZIPAKEX-JOCHJYFZSA-N 2 2 413.562 2.362 50 0 HEAALP COc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000020208670 558347167 /nfs/dbraw/zinc/34/71/67/558347167.db2.gz JTMNIXJMAGCICP-IBGZPJMESA-N 2 2 422.472 2.335 50 0 HEAALP CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000012725578 558457175 /nfs/dbraw/zinc/45/71/75/558457175.db2.gz GHTYYFHWUZRTGZ-FQEVSTJZSA-N 2 2 405.539 2.186 50 0 HEAALP CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000012725580 558457199 /nfs/dbraw/zinc/45/71/99/558457199.db2.gz GHTYYFHWUZRTGZ-HXUWFJFHSA-N 2 2 405.539 2.186 50 0 HEAALP Cc1ncc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)s1 ZINC000023214984 558542795 /nfs/dbraw/zinc/54/27/95/558542795.db2.gz LHMLZFRHACEVDT-IBGZPJMESA-N 2 2 406.596 2.423 50 0 HEAALP CCn1cc[nH+]c1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019609140 558946907 /nfs/dbraw/zinc/94/69/07/558946907.db2.gz FOSCEKZUYFSUOK-UHFFFAOYSA-N 2 2 408.506 2.139 50 0 HEAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)[nH+]c(C)n2)c1C ZINC000072441485 558981815 /nfs/dbraw/zinc/98/18/15/558981815.db2.gz OPPXAIRRMIOVJV-UHFFFAOYSA-N 2 2 420.473 2.279 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091465 559036991 /nfs/dbraw/zinc/03/69/91/559036991.db2.gz WXFQOBCPIBALEP-NRFANRHFSA-N 2 2 410.566 2.150 50 0 HEAALP CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091465 559036993 /nfs/dbraw/zinc/03/69/93/559036993.db2.gz WXFQOBCPIBALEP-NRFANRHFSA-N 2 2 410.566 2.150 50 0 HEAALP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCO1 ZINC000082121959 559039749 /nfs/dbraw/zinc/03/97/49/559039749.db2.gz JWFSIDUJSBITGU-HXUWFJFHSA-N 2 2 400.567 2.395 50 0 HEAALP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCO1 ZINC000082121959 559039751 /nfs/dbraw/zinc/03/97/51/559039751.db2.gz JWFSIDUJSBITGU-HXUWFJFHSA-N 2 2 400.567 2.395 50 0 HEAALP Cc1[nH+]cn(-c2cc(NCCNS(=O)(=O)c3ccc(C)cc3)[nH+]c(C)n2)c1C ZINC000082230561 559042819 /nfs/dbraw/zinc/04/28/19/559042819.db2.gz LEUGPAKJDFLZQN-UHFFFAOYSA-N 2 2 400.508 2.286 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092062096 559075306 /nfs/dbraw/zinc/07/53/06/559075306.db2.gz MKRAQPMZZCNZEI-FQEVSTJZSA-N 2 2 408.550 2.207 50 0 HEAALP CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000092062096 559075308 /nfs/dbraw/zinc/07/53/08/559075308.db2.gz MKRAQPMZZCNZEI-FQEVSTJZSA-N 2 2 408.550 2.207 50 0 HEAALP O=C(C[NH+]1CCCCCC1)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000092097902 559075550 /nfs/dbraw/zinc/07/55/50/559075550.db2.gz VZXPLWZRKZESAL-UHFFFAOYSA-N 2 2 401.555 2.059 50 0 HEAALP O=C(C[NH+]1CCCCCC1)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000092097902 559075551 /nfs/dbraw/zinc/07/55/51/559075551.db2.gz VZXPLWZRKZESAL-UHFFFAOYSA-N 2 2 401.555 2.059 50 0 HEAALP COc1ccc(C[N@H+](C)Cc2nccn2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095529065 559086436 /nfs/dbraw/zinc/08/64/36/559086436.db2.gz ZDIYEPLFXZUPKY-LJQANCHMSA-N 2 2 402.539 2.286 50 0 HEAALP COc1ccc(C[N@@H+](C)Cc2nccn2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095529065 559086437 /nfs/dbraw/zinc/08/64/37/559086437.db2.gz ZDIYEPLFXZUPKY-LJQANCHMSA-N 2 2 402.539 2.286 50 0 HEAALP COc1ccc(CN(C)Cc2[nH+]ccn2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095529065 559086438 /nfs/dbraw/zinc/08/64/38/559086438.db2.gz ZDIYEPLFXZUPKY-LJQANCHMSA-N 2 2 402.539 2.286 50 0 HEAALP Cc1[nH+]ccn1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795399 568876213 /nfs/dbraw/zinc/87/62/13/568876213.db2.gz LHTSYFIRSAQOLF-OAQYLSRUSA-N 2 2 416.497 2.101 50 0 HEAALP Cc1cccc(NC(=O)N2CCN(c3nc(N4CC[NH+](C)CC4)cc(C)[nH+]3)CC2)c1 ZINC000015825181 569011390 /nfs/dbraw/zinc/01/13/90/569011390.db2.gz BXKGLQBHQLXORZ-UHFFFAOYSA-N 2 2 409.538 2.199 50 0 HEAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCO[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426396044 569072697 /nfs/dbraw/zinc/07/26/97/569072697.db2.gz XUQBZIZVKIVZDU-KRWDZBQOSA-N 2 2 400.548 2.064 50 0 HEAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCO[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426396044 569072698 /nfs/dbraw/zinc/07/26/98/569072698.db2.gz XUQBZIZVKIVZDU-KRWDZBQOSA-N 2 2 400.548 2.064 50 0 HEAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017052500 569272619 /nfs/dbraw/zinc/27/26/19/569272619.db2.gz ZPUUAYKBOCDRSQ-UHFFFAOYSA-N 2 2 408.550 2.116 50 0 HEAALP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972796 569422674 /nfs/dbraw/zinc/42/26/74/569422674.db2.gz FNXBHKZKWSKYRN-ROUUACIJSA-N 2 2 407.530 2.205 50 0 HEAALP