smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccnc1CNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091872629 559074320 /nfs/dbraw/zinc/07/43/20/559074320.db2.gz BILAHSCMNRHNLC-NRFANRHFSA-N 1 3 421.589 2.380 50 0 HEAAHO CC1=C(C(=O)NCCC[NH+]2CCCC2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000020531715 568627397 /nfs/dbraw/zinc/62/73/97/568627397.db2.gz LDALEUAPOIFZAC-UHFFFAOYSA-N 1 3 411.546 2.497 50 0 biogenic HEAAHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1Cl ZINC000089314367 569058485 /nfs/dbraw/zinc/05/84/85/569058485.db2.gz AVCOJWRPXXQQPE-UHFFFAOYSA-N 1 3 410.946 2.210 50 0 HEAAHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1Cl ZINC000089314367 569058486 /nfs/dbraw/zinc/05/84/86/569058486.db2.gz AVCOJWRPXXQQPE-UHFFFAOYSA-N 1 3 410.946 2.210 50 0 HEAAHO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCC(C)(C)C[NH+](C)C)C2 ZINC000020539340 523614018 /nfs/dbraw/zinc/61/40/18/523614018.db2.gz ROEJSBYPXDUBRK-MRXNPFEDSA-N 1 3 407.628 2.127 50 0 HEAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCC1=O ZINC000012443622 558412985 /nfs/dbraw/zinc/41/29/85/558412985.db2.gz NEBKPZKXAJCDBP-IBGZPJMESA-N 1 3 418.557 2.050 50 0 HEAAHO COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012711754 558453087 /nfs/dbraw/zinc/45/30/87/558453087.db2.gz DFSWWIXPHDAAPT-GOSISDBHSA-N 1 3 407.530 2.381 50 0 HEAAHO O[C@@H](COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)CN1CCC(O)CC1 ZINC000012385581 558499504 /nfs/dbraw/zinc/49/95/04/558499504.db2.gz BDKPABHMDZNQAT-JOCHJYFZSA-N 1 3 402.510 2.354 50 0 HEAAHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000170598137 569242416 /nfs/dbraw/zinc/24/24/16/569242416.db2.gz ZAOXGROPQOBMIB-LJQANCHMSA-N 1 3 419.639 2.425 50 0 HEAAHO COc1ccc(C[N@H+](C)CCc2cnn(C)c2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011817834 558281227 /nfs/dbraw/zinc/28/12/27/558281227.db2.gz BVQRBIVOSWIEKK-NRFANRHFSA-N 1 3 416.566 2.329 50 0 HEAAHO COc1ccc(C[N@@H+](C)CCc2cnn(C)c2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011817834 558281228 /nfs/dbraw/zinc/28/12/28/558281228.db2.gz BVQRBIVOSWIEKK-NRFANRHFSA-N 1 3 416.566 2.329 50 0 HEAAHO Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1 ZINC000011972036 558305102 /nfs/dbraw/zinc/30/51/02/558305102.db2.gz RZRSWHGYAAEMJB-IBGZPJMESA-N 1 3 424.593 2.472 50 0 HEAAHO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCN(C)CC3)CC2)cc(OC)c1 ZINC000014964102 558685174 /nfs/dbraw/zinc/68/51/74/558685174.db2.gz PDDWCQBJXUAXCA-OAQYLSRUSA-N 1 3 401.551 2.470 50 0 HEAAHO CC(C)(CO)CNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091526312 559071949 /nfs/dbraw/zinc/07/19/49/559071949.db2.gz QTRROEPHHRJGAQ-NRFANRHFSA-N 1 3 413.606 2.465 50 0 HEAAHO COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000055227847 558877001 /nfs/dbraw/zinc/87/70/01/558877001.db2.gz MWCOKAQAOPPSDQ-OAQYLSRUSA-N 1 3 405.583 2.496 50 0 HEAAHO CCN1CCN(CCN2CC3(CC[NH+](Cc4sccc4C)CC3)OC2=O)CC1 ZINC000072418266 558978213 /nfs/dbraw/zinc/97/82/13/558978213.db2.gz DXPCQXVSMZYGIC-UHFFFAOYSA-N 1 3 406.596 2.481 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106624 559038232 /nfs/dbraw/zinc/03/82/32/559038232.db2.gz LQKXBDJMACJRRH-JOCHJYFZSA-N 1 3 413.610 2.312 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106624 559038234 /nfs/dbraw/zinc/03/82/34/559038234.db2.gz LQKXBDJMACJRRH-JOCHJYFZSA-N 1 3 413.610 2.312 50 0 HEAAHO CC(=O)NC1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095497397 559081833 /nfs/dbraw/zinc/08/18/33/559081833.db2.gz XOQJWIHPEVZYTL-JOCHJYFZSA-N 1 3 403.567 2.403 50 0 HEAAHO CC(C)(CNC[C@H](O)COc1ccccc1)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000006052993 568988479 /nfs/dbraw/zinc/98/84/79/568988479.db2.gz ZZOWGFFBXUUUNE-PMACEKPBSA-N 1 3 402.535 2.072 50 0 HEAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012386180 558394989 /nfs/dbraw/zinc/39/49/89/558394989.db2.gz MFMHXTSDZJREHB-LJQANCHMSA-N 1 3 416.545 2.110 50 0 HEAAHO COc1cc(CN(C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012476564 558422868 /nfs/dbraw/zinc/42/28/68/558422868.db2.gz VGFMYPGFYPYQEG-NRFANRHFSA-N 1 3 416.566 2.476 50 0 HEAAHO COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000022852945 558517171 /nfs/dbraw/zinc/51/71/71/558517171.db2.gz IGBHTUAZWCQBFF-JOCHJYFZSA-N 1 3 413.562 2.281 50 0 HEAAHO CC(C)N1CCN(CCCN2CC3(CCN(c4cc[nH+]cc4)CC3)OC2=O)CC1 ZINC000077470661 559006452 /nfs/dbraw/zinc/00/64/52/559006452.db2.gz AZYUYSWRSYDZJK-UHFFFAOYSA-N 1 3 401.555 2.289 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091548809 559072168 /nfs/dbraw/zinc/07/21/68/559072168.db2.gz QNEZIRQMJSRNLK-JOCHJYFZSA-N 1 3 413.610 2.312 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091548809 559072170 /nfs/dbraw/zinc/07/21/70/559072170.db2.gz QNEZIRQMJSRNLK-JOCHJYFZSA-N 1 3 413.610 2.312 50 0 HEAAHO Cc1nc(CC[NH2+]Cc2cccc(OC[C@@H](O)CN3CCC(O)CC3)c2)sc1C ZINC000012440072 558411472 /nfs/dbraw/zinc/41/14/72/558411472.db2.gz ZJCYSKJDTUDZSZ-FQEVSTJZSA-N 1 3 419.591 2.289 50 0 HEAAHO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCN(C)CC3)CC2)cc(OC)c1 ZINC000014964106 558685126 /nfs/dbraw/zinc/68/51/26/558685126.db2.gz PDDWCQBJXUAXCA-NRFANRHFSA-N 1 3 401.551 2.470 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082147311 559040801 /nfs/dbraw/zinc/04/08/01/559040801.db2.gz QPXBENVFVVLVDR-JOCHJYFZSA-N 1 3 413.610 2.360 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082147311 559040803 /nfs/dbraw/zinc/04/08/03/559040803.db2.gz QPXBENVFVVLVDR-JOCHJYFZSA-N 1 3 413.610 2.360 50 0 HEAAHO CC(C)(CO)CNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091526311 559071968 /nfs/dbraw/zinc/07/19/68/559071968.db2.gz QTRROEPHHRJGAQ-OAQYLSRUSA-N 1 3 413.606 2.465 50 0 HEAAHO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCC(C)(C)C[NH+](C)C)CC2 ZINC000020234032 558350470 /nfs/dbraw/zinc/35/04/70/558350470.db2.gz VIHGBGBQAAQAPS-MRXNPFEDSA-N 1 3 401.555 2.320 50 0 HEAAHO COc1ccc(CNCCOc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012304430 558373523 /nfs/dbraw/zinc/37/35/23/558373523.db2.gz LCQCEHXPINQCNF-FQEVSTJZSA-N 1 3 415.534 2.484 50 0 HEAAHO COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000022852947 558517074 /nfs/dbraw/zinc/51/70/74/558517074.db2.gz IGBHTUAZWCQBFF-QFIPXVFZSA-N 1 3 413.562 2.281 50 0 HEAAHO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000022919299 558522144 /nfs/dbraw/zinc/52/21/44/558522144.db2.gz DLROBHIQXIQCEP-NRFANRHFSA-N 1 3 417.525 2.111 50 0 HEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc(C)cn1 ZINC000011844240 558288939 /nfs/dbraw/zinc/28/89/39/558288939.db2.gz YMPFTOXMAKRVSX-FQEVSTJZSA-N 1 3 403.571 2.070 50 0 HEAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCN1CCCCO1 ZINC000012075322 558319415 /nfs/dbraw/zinc/31/94/15/558319415.db2.gz BVLLKQOXWJDCKT-JOCHJYFZSA-N 1 3 424.630 2.075 50 0 HEAAHO Cc1nc(CC[NH2+]Cc2cccc(OC[C@H](O)CN3CCC(O)CC3)c2)sc1C ZINC000012440074 558411531 /nfs/dbraw/zinc/41/15/31/558411531.db2.gz ZJCYSKJDTUDZSZ-HXUWFJFHSA-N 1 3 419.591 2.289 50 0 HEAAHO Cn1ccnc1CNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091872626 559074457 /nfs/dbraw/zinc/07/44/57/559074457.db2.gz BILAHSCMNRHNLC-OAQYLSRUSA-N 1 3 421.589 2.380 50 0 HEAAHO COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000020996491 558427216 /nfs/dbraw/zinc/42/72/16/558427216.db2.gz ZPZACAAWBDNKJK-OAQYLSRUSA-N 1 3 405.583 2.447 50 0 HEAAHO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019336713 558870115 /nfs/dbraw/zinc/87/01/15/558870115.db2.gz IZNQIONPWQYPIK-JOCHJYFZSA-N 1 3 416.610 2.046 50 0 HEAAHO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019336713 558870119 /nfs/dbraw/zinc/87/01/19/558870119.db2.gz IZNQIONPWQYPIK-JOCHJYFZSA-N 1 3 416.610 2.046 50 0 HEAAHO COCCN(C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)C[C@H](C)O4)CC2)OC1=O ZINC000072447111 558982609 /nfs/dbraw/zinc/98/26/09/558982609.db2.gz AVRRVYGRCYEHEH-SFHVURJKSA-N 1 3 417.550 2.375 50 0 HEAAHO COc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C1)CCC2 ZINC000095375365 559080382 /nfs/dbraw/zinc/08/03/82/559080382.db2.gz ZJEZKIRLLCJQHJ-GGAORHGYSA-N 1 3 401.595 2.394 50 0 HEAAHO COc1cc2c(cc1C[N@H+]1CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C1)CCC2 ZINC000095375365 559080383 /nfs/dbraw/zinc/08/03/83/559080383.db2.gz ZJEZKIRLLCJQHJ-GGAORHGYSA-N 1 3 401.595 2.394 50 0 HEAAHO COc1ccc(C[N@H+](C)CCc2cnn(C)c2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011817835 558281171 /nfs/dbraw/zinc/28/11/71/558281171.db2.gz BVQRBIVOSWIEKK-OAQYLSRUSA-N 1 3 416.566 2.329 50 0 HEAAHO COc1ccc(C[N@@H+](C)CCc2cnn(C)c2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011817835 558281173 /nfs/dbraw/zinc/28/11/73/558281173.db2.gz BVQRBIVOSWIEKK-OAQYLSRUSA-N 1 3 416.566 2.329 50 0 HEAAHO CC(=O)NCCNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012760210 558460836 /nfs/dbraw/zinc/46/08/36/558460836.db2.gz MAWWZVULOFLWHY-UHFFFAOYSA-N 1 3 414.594 2.048 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082166396 559041994 /nfs/dbraw/zinc/04/19/94/559041994.db2.gz KSPHGHSUGSJJKQ-QFIPXVFZSA-N 1 3 413.610 2.360 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082166396 559041996 /nfs/dbraw/zinc/04/19/96/559041996.db2.gz KSPHGHSUGSJJKQ-QFIPXVFZSA-N 1 3 413.610 2.360 50 0 HEAAHO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000095957702 568669557 /nfs/dbraw/zinc/66/95/57/568669557.db2.gz OSXFUJYMLYUFIR-UHFFFAOYSA-N 1 3 401.555 2.377 50 0 HEAAHO COc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)N(C)C3)CC2)cc1C ZINC000581802926 1078772440 /nfs/dbraw/zinc/77/24/40/1078772440.db2.gz RJHLCWKYBYUTQK-HXUWFJFHSA-N 1 3 401.551 2.149 50 0 HEAAHO COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@H](O)CN1CCCCC1 ZINC000020540429 524071118 /nfs/dbraw/zinc/07/11/18/524071118.db2.gz XKZUFVZRROZRJX-HXUWFJFHSA-N 1 3 400.523 2.043 50 0 HEAAHO COc1ccc(CNCCOc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012304431 558373666 /nfs/dbraw/zinc/37/36/66/558373666.db2.gz LCQCEHXPINQCNF-HXUWFJFHSA-N 1 3 415.534 2.484 50 0 HEAAHO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCN(C)CC1 ZINC000091270515 559070870 /nfs/dbraw/zinc/07/08/70/559070870.db2.gz KIQZOCWMRIKZFR-OAQYLSRUSA-N 1 3 413.610 2.311 50 0 HEAAHO CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCN(C)CC1 ZINC000091270515 559070872 /nfs/dbraw/zinc/07/08/72/559070872.db2.gz KIQZOCWMRIKZFR-OAQYLSRUSA-N 1 3 413.610 2.311 50 0 HEAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc(C)cn1 ZINC000011844239 558289017 /nfs/dbraw/zinc/28/90/17/558289017.db2.gz YMPFTOXMAKRVSX-HXUWFJFHSA-N 1 3 403.571 2.070 50 0 HEAAHO CCN(CCn1cccn1)Cc1ccc(OC)c(OC[C@H](O)C[NH+](CC)CC)c1 ZINC000012430693 558405307 /nfs/dbraw/zinc/40/53/07/558405307.db2.gz BMAQCKBOSGIIDR-HXUWFJFHSA-N 1 3 404.555 2.495 50 0 HEAAHO COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012756975 558460335 /nfs/dbraw/zinc/46/03/35/558460335.db2.gz JKSSORSUDSJNIW-HXUWFJFHSA-N 1 3 404.555 2.378 50 0 HEAAHO COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012756975 558460336 /nfs/dbraw/zinc/46/03/36/558460336.db2.gz JKSSORSUDSJNIW-HXUWFJFHSA-N 1 3 404.555 2.378 50 0 HEAAHO COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012756971 558460326 /nfs/dbraw/zinc/46/03/26/558460326.db2.gz JKSSORSUDSJNIW-FQEVSTJZSA-N 1 3 404.555 2.378 50 0 HEAAHO COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012756971 558460327 /nfs/dbraw/zinc/46/03/27/558460327.db2.gz JKSSORSUDSJNIW-FQEVSTJZSA-N 1 3 404.555 2.378 50 0 HEAAHO CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1ccncc1)CC2 ZINC000014748634 558669990 /nfs/dbraw/zinc/66/99/90/558669990.db2.gz KSQFUBDSCQQFOK-UHFFFAOYSA-N 1 3 401.555 2.288 50 0 HEAAHO Cn1nccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000014960815 558683861 /nfs/dbraw/zinc/68/38/61/558683861.db2.gz XDLKBFFFGCMXJB-SFHVURJKSA-N 1 3 401.530 2.475 50 0 HEAAHO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CC[C@@H](N(C)C)C4)CC3)CC2)n1 ZINC000055153633 569391471 /nfs/dbraw/zinc/39/14/71/569391471.db2.gz KEVAWTFLFXTJAD-HSZRJFAPSA-N 1 3 413.610 2.229 50 0 HEAAHO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCC(C)(C)C[NH+](C)C)CC2 ZINC000020234035 558350432 /nfs/dbraw/zinc/35/04/32/558350432.db2.gz VIHGBGBQAAQAPS-INIZCTEOSA-N 1 3 401.555 2.320 50 0 HEAAHO COc1cc(CN(C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012476572 558422855 /nfs/dbraw/zinc/42/28/55/558422855.db2.gz VGFMYPGFYPYQEG-OAQYLSRUSA-N 1 3 416.566 2.476 50 0 HEAAHO O=C([C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1 ZINC000091736515 559073348 /nfs/dbraw/zinc/07/33/48/559073348.db2.gz IVZCRAFITVSBOW-NRFANRHFSA-N 1 3 411.590 2.314 50 0 HEAAHO COc1cc(CN2CC(N3CCCCC3)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095522782 559085645 /nfs/dbraw/zinc/08/56/45/559085645.db2.gz HOPYVAXMNLBEQK-OAQYLSRUSA-N 1 3 403.567 2.201 50 0 HEAAHO COc1ccc(CN2CC(N3CCCCC3)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095527029 559086141 /nfs/dbraw/zinc/08/61/41/559086141.db2.gz DGUJRWOLRFEMBR-OAQYLSRUSA-N 1 3 403.567 2.201 50 0 HEAAHO CN(C)CC(C)(C)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791558 568875842 /nfs/dbraw/zinc/87/58/42/568875842.db2.gz GYTMNVZRJNMDAH-NRFANRHFSA-N 1 3 421.557 2.484 50 0 HEAAHO COc1ccc(CN2CC(N3CCCCC3)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095527030 559086117 /nfs/dbraw/zinc/08/61/17/559086117.db2.gz DGUJRWOLRFEMBR-NRFANRHFSA-N 1 3 403.567 2.201 50 0 HEAAHO COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000020992939 558426132 /nfs/dbraw/zinc/42/61/32/558426132.db2.gz JYDWTNLIGJZXEK-NRFANRHFSA-N 1 3 405.583 2.303 50 0 HEAAHO COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000020992939 558426134 /nfs/dbraw/zinc/42/61/34/558426134.db2.gz JYDWTNLIGJZXEK-NRFANRHFSA-N 1 3 405.583 2.303 50 0 HEAAHO CCN(CCn1cccn1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](CC)CC)c1 ZINC000012430694 558405227 /nfs/dbraw/zinc/40/52/27/558405227.db2.gz BMAQCKBOSGIIDR-FQEVSTJZSA-N 1 3 404.555 2.495 50 0 HEAAHO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCC(C)(C)C[NH+](C)C)C2 ZINC000014744060 558668334 /nfs/dbraw/zinc/66/83/34/558668334.db2.gz ZSIJGMUDFDEDHD-SFHVURJKSA-N 1 3 419.614 2.046 50 0 HEAAHO COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020878098 558419674 /nfs/dbraw/zinc/41/96/74/558419674.db2.gz ZWHXIYDJMQBEEG-LJQANCHMSA-N 1 3 419.591 2.342 50 0 HEAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCCn2nc(C)cc2C)cc1OC ZINC000012463585 558419795 /nfs/dbraw/zinc/41/97/95/558419795.db2.gz KRTCWMHZCSUWCO-HXUWFJFHSA-N 1 3 404.555 2.380 50 0 HEAAHO CNC(=O)C1(C)CCN(Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000095524650 559085854 /nfs/dbraw/zinc/08/58/54/559085854.db2.gz DZTVAHXJTYNMHR-FQEVSTJZSA-N 1 3 403.567 2.260 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106625 559038309 /nfs/dbraw/zinc/03/83/09/559038309.db2.gz LQKXBDJMACJRRH-QFIPXVFZSA-N 1 3 413.610 2.312 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106625 559038310 /nfs/dbraw/zinc/03/83/10/559038310.db2.gz LQKXBDJMACJRRH-QFIPXVFZSA-N 1 3 413.610 2.312 50 0 HEAAHO NC(=O)CC1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095509662 559083671 /nfs/dbraw/zinc/08/36/71/559083671.db2.gz OQLULDQUYLLYAO-OAQYLSRUSA-N 1 3 403.567 2.390 50 0 HEAAHO CC(C)(CNC[C@@H](O)COc1ccccc1)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000006052995 568988461 /nfs/dbraw/zinc/98/84/61/568988461.db2.gz ZZOWGFFBXUUUNE-BGYRXZFFSA-N 1 3 402.535 2.072 50 0 HEAAHO CC(C)(CNC[C@H](O)COc1ccccc1)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000006052995 568988464 /nfs/dbraw/zinc/98/84/64/568988464.db2.gz ZZOWGFFBXUUUNE-BGYRXZFFSA-N 1 3 402.535 2.072 50 0 HEAAHO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)CC1 ZINC000019841154 558294346 /nfs/dbraw/zinc/29/43/46/558294346.db2.gz ROZPEQHZIPAKEX-QFIPXVFZSA-N 1 3 413.562 2.362 50 0 HEAAHO COc1cc(CN(C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012385498 558394469 /nfs/dbraw/zinc/39/44/69/558394469.db2.gz DAUHFKWJVUNPML-HXUWFJFHSA-N 1 3 404.555 2.183 50 0 HEAAHO COc1cc(CN(C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012385498 558394471 /nfs/dbraw/zinc/39/44/71/558394471.db2.gz DAUHFKWJVUNPML-HXUWFJFHSA-N 1 3 404.555 2.183 50 0 HEAAHO COCCN(C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)C[C@@H](C)O4)CC2)OC1=O ZINC000072447110 558982657 /nfs/dbraw/zinc/98/26/57/558982657.db2.gz AVRRVYGRCYEHEH-GOSISDBHSA-N 1 3 417.550 2.375 50 0 HEAAHO Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1 ZINC000011977197 558305863 /nfs/dbraw/zinc/30/58/63/558305863.db2.gz RNGREIKVEGOTFA-LJQANCHMSA-N 1 3 424.593 2.472 50 0 HEAAHO COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012711759 558452944 /nfs/dbraw/zinc/45/29/44/558452944.db2.gz DFSWWIXPHDAAPT-SFHVURJKSA-N 1 3 407.530 2.381 50 0 HEAAHO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000022919304 558522127 /nfs/dbraw/zinc/52/21/27/558522127.db2.gz DLROBHIQXIQCEP-OAQYLSRUSA-N 1 3 417.525 2.111 50 0 HEAAHO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC(C)(C)C[NH+](C)C)C2 ZINC000014744061 558668349 /nfs/dbraw/zinc/66/83/49/558668349.db2.gz ZSIJGMUDFDEDHD-GOSISDBHSA-N 1 3 419.614 2.046 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082166397 559042075 /nfs/dbraw/zinc/04/20/75/559042075.db2.gz KSPHGHSUGSJJKQ-JOCHJYFZSA-N 1 3 413.610 2.360 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082166397 559042077 /nfs/dbraw/zinc/04/20/77/559042077.db2.gz KSPHGHSUGSJJKQ-JOCHJYFZSA-N 1 3 413.610 2.360 50 0 HEAAHO COc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)N(C)C3)CC2)cc1C ZINC000581802924 1078772326 /nfs/dbraw/zinc/77/23/26/1078772326.db2.gz RJHLCWKYBYUTQK-FQEVSTJZSA-N 1 3 401.551 2.149 50 0 HEAAHO COc1ccccc1CN1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cnsn2)C1 ZINC000012470960 558421908 /nfs/dbraw/zinc/42/19/08/558421908.db2.gz NLOZOGUOBVIZLC-KRWDZBQOSA-N 1 3 417.579 2.463 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082147310 559040877 /nfs/dbraw/zinc/04/08/77/559040877.db2.gz QPXBENVFVVLVDR-QFIPXVFZSA-N 1 3 413.610 2.360 50 0 HEAAHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082147310 559040878 /nfs/dbraw/zinc/04/08/78/559040878.db2.gz QPXBENVFVVLVDR-QFIPXVFZSA-N 1 3 413.610 2.360 50 0 HEAAHO COc1cc(CN(C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012385497 558394541 /nfs/dbraw/zinc/39/45/41/558394541.db2.gz DAUHFKWJVUNPML-FQEVSTJZSA-N 1 3 404.555 2.183 50 0 HEAAHO COc1cc(CN(C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012385497 558394542 /nfs/dbraw/zinc/39/45/42/558394542.db2.gz DAUHFKWJVUNPML-FQEVSTJZSA-N 1 3 404.555 2.183 50 0 HEAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012386181 558395097 /nfs/dbraw/zinc/39/50/97/558395097.db2.gz MFMHXTSDZJREHB-IBGZPJMESA-N 1 3 416.545 2.110 50 0 HEAAHO C[N@H+](CCC1CCOCC1)Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000012719022 558456452 /nfs/dbraw/zinc/45/64/52/558456452.db2.gz QMGZABSUQUTKSA-JOCHJYFZSA-N 1 3 406.567 2.132 50 0 HEAAHO C[N@@H+](CCC1CCOCC1)Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000012719022 558456456 /nfs/dbraw/zinc/45/64/56/558456456.db2.gz QMGZABSUQUTKSA-JOCHJYFZSA-N 1 3 406.567 2.132 50 0 HEAAHO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCN1CCN(C)CC1 ZINC000022926217 558523220 /nfs/dbraw/zinc/52/32/20/558523220.db2.gz UDDKNDYZLCUVRS-UHFFFAOYSA-N 1 3 404.574 2.176 50 0 HEAAHO NC(=O)CC1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095509663 559083688 /nfs/dbraw/zinc/08/36/88/559083688.db2.gz OQLULDQUYLLYAO-NRFANRHFSA-N 1 3 403.567 2.390 50 0 HEAAHO CCOC(=O)N1CCC([NH+]2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)CC1 ZINC000023340045 559173017 /nfs/dbraw/zinc/17/30/17/559173017.db2.gz YEWQJSZMANTUGH-UHFFFAOYSA-N 1 3 406.571 2.062 50 0 HEAAHO O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)C1([NH+]2CCCC2)CCCCC1 ZINC000670469785 568982978 /nfs/dbraw/zinc/98/29/78/568982978.db2.gz AEDXXMJWKLPWTG-LUQTXGNESA-N 1 3 422.617 2.469 50 0 HEAAHO CC(C)(CNC[C@@H](O)COc1ccccc1)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000006052998 568988500 /nfs/dbraw/zinc/98/85/00/568988500.db2.gz ZZOWGFFBXUUUNE-WOJBJXKFSA-N 1 3 402.535 2.072 50 0 HEAAHO CCn1c2c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cnn2c(=O)c2c1CCNC2 ZINC000064966201 569137385 /nfs/dbraw/zinc/13/73/85/569137385.db2.gz SVJHDGLVYPDZIA-UHFFFAOYSA-N 1 3 420.517 2.010 50 0 HEAAHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000170598136 569242397 /nfs/dbraw/zinc/24/23/97/569242397.db2.gz ZAOXGROPQOBMIB-IBGZPJMESA-N 1 3 419.639 2.425 50 0 HEAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CN1CCCC1=O ZINC000012443619 558412956 /nfs/dbraw/zinc/41/29/56/558412956.db2.gz NEBKPZKXAJCDBP-LJQANCHMSA-N 1 3 418.557 2.050 50 0 HEAAHO COC(=O)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012701984 558447942 /nfs/dbraw/zinc/44/79/42/558447942.db2.gz NIDKCMZNSCIUHH-UHFFFAOYSA-N 1 3 401.551 2.085 50 0 HEAAHO Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1 ZINC000011972030 558305131 /nfs/dbraw/zinc/30/51/31/558305131.db2.gz RZRSWHGYAAEMJB-LJQANCHMSA-N 1 3 424.593 2.472 50 0 HEAAHO COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cnsn2)C1 ZINC000012470952 558421990 /nfs/dbraw/zinc/42/19/90/558421990.db2.gz NLOZOGUOBVIZLC-QGZVFWFLSA-N 1 3 417.579 2.463 50 0 HEAAHO COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000020992943 558426085 /nfs/dbraw/zinc/42/60/85/558426085.db2.gz JYDWTNLIGJZXEK-OAQYLSRUSA-N 1 3 405.583 2.303 50 0 HEAAHO COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000020992943 558426089 /nfs/dbraw/zinc/42/60/89/558426089.db2.gz JYDWTNLIGJZXEK-OAQYLSRUSA-N 1 3 405.583 2.303 50 0 HEAAHO Cn1nccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000014960811 558683801 /nfs/dbraw/zinc/68/38/01/558683801.db2.gz XDLKBFFFGCMXJB-GOSISDBHSA-N 1 3 401.530 2.475 50 0 HEAAHO CN(C)CC(C)(C)C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791566 568875811 /nfs/dbraw/zinc/87/58/11/568875811.db2.gz GYTMNVZRJNMDAH-OAQYLSRUSA-N 1 3 421.557 2.484 50 0 HEAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1cnccn1 ZINC000012703954 569383734 /nfs/dbraw/zinc/38/37/34/569383734.db2.gz MNAHPEFLMSDPAN-JOCHJYFZSA-N 1 3 417.598 2.081 50 0 HEAAHO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CC[C@H](N(C)C)C4)CC3)CC2)n1 ZINC000055153631 569391379 /nfs/dbraw/zinc/39/13/79/569391379.db2.gz KEVAWTFLFXTJAD-QHCPKHFHSA-N 1 3 413.610 2.229 50 0 HEAAHO Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1 ZINC000011977203 558305871 /nfs/dbraw/zinc/30/58/71/558305871.db2.gz RNGREIKVEGOTFA-IBGZPJMESA-N 1 3 424.593 2.472 50 0 HEAAHO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019336707 558870132 /nfs/dbraw/zinc/87/01/32/558870132.db2.gz IZNQIONPWQYPIK-QFIPXVFZSA-N 1 3 416.610 2.046 50 0 HEAAHO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019336707 558870134 /nfs/dbraw/zinc/87/01/34/558870134.db2.gz IZNQIONPWQYPIK-QFIPXVFZSA-N 1 3 416.610 2.046 50 0 HEAAHO COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000055227851 558876954 /nfs/dbraw/zinc/87/69/54/558876954.db2.gz MWCOKAQAOPPSDQ-NRFANRHFSA-N 1 3 405.583 2.496 50 0 HEAAHO CN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCN(C)CC1 ZINC000091270516 559070829 /nfs/dbraw/zinc/07/08/29/559070829.db2.gz KIQZOCWMRIKZFR-NRFANRHFSA-N 1 3 413.610 2.311 50 0 HEAAHO CN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCN(C)CC1 ZINC000091270516 559070830 /nfs/dbraw/zinc/07/08/30/559070830.db2.gz KIQZOCWMRIKZFR-NRFANRHFSA-N 1 3 413.610 2.311 50 0 HEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1cnccn1 ZINC000012703958 569383676 /nfs/dbraw/zinc/38/36/76/569383676.db2.gz MNAHPEFLMSDPAN-QFIPXVFZSA-N 1 3 417.598 2.081 50 0 HEAAHO C[N@H+](CCC1CCOCC1)Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000012719021 558456403 /nfs/dbraw/zinc/45/64/03/558456403.db2.gz QMGZABSUQUTKSA-QFIPXVFZSA-N 1 3 406.567 2.132 50 0 HEAAHO C[N@@H+](CCC1CCOCC1)Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000012719021 558456405 /nfs/dbraw/zinc/45/64/05/558456405.db2.gz QMGZABSUQUTKSA-QFIPXVFZSA-N 1 3 406.567 2.132 50 0 HEAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014740412 558666531 /nfs/dbraw/zinc/66/65/31/558666531.db2.gz SZGVUCUEVDMTNX-UHFFFAOYSA-N 1 3 411.550 2.359 50 0 HEAAHO CC[NH+]1CCN(CCCN2CC3(CCN(Cc4ccc(C)o4)CC3)OC2=O)CC1 ZINC000072431828 558979377 /nfs/dbraw/zinc/97/93/77/558979377.db2.gz WSWITJRMDCPJQM-UHFFFAOYSA-N 1 3 404.555 2.402 50 0 HEAAHO CNC(=O)C1(C)CCN(Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000095524649 559085833 /nfs/dbraw/zinc/08/58/33/559085833.db2.gz DZTVAHXJTYNMHR-HXUWFJFHSA-N 1 3 403.567 2.260 50 0 HEAAHO COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020878096 558419753 /nfs/dbraw/zinc/41/97/53/558419753.db2.gz ZWHXIYDJMQBEEG-IBGZPJMESA-N 1 3 419.591 2.342 50 0 HEAAHO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCC(C)(C)C[NH+](C)C)C2 ZINC000020539338 523613313 /nfs/dbraw/zinc/61/33/13/523613313.db2.gz ROEJSBYPXDUBRK-INIZCTEOSA-N 1 3 407.628 2.127 50 0 HEAAHO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCN(C)C)C1 ZINC000014746181 558669165 /nfs/dbraw/zinc/66/91/65/558669165.db2.gz YPENZIMAKKNNON-LEWJYISDSA-N 1 3 414.594 2.386 50 0 HEAAHO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCN(C)C)C1 ZINC000014746181 558669167 /nfs/dbraw/zinc/66/91/67/558669167.db2.gz YPENZIMAKKNNON-LEWJYISDSA-N 1 3 414.594 2.386 50 0 HEAAHO CCN1CCN(CCN2CC3(CC[NH+](Cc4ccc(C)cc4)CC3)OC2=O)CC1 ZINC000072432153 558979450 /nfs/dbraw/zinc/97/94/50/558979450.db2.gz HEYLWNQIZCFGPC-UHFFFAOYSA-N 1 3 400.567 2.419 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091548812 559072111 /nfs/dbraw/zinc/07/21/11/559072111.db2.gz QNEZIRQMJSRNLK-QFIPXVFZSA-N 1 3 413.610 2.312 50 0 HEAAHO CN(CCN1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091548812 559072113 /nfs/dbraw/zinc/07/21/13/559072113.db2.gz QNEZIRQMJSRNLK-QFIPXVFZSA-N 1 3 413.610 2.312 50 0 HEAAHO O=C([C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1 ZINC000091736517 559073405 /nfs/dbraw/zinc/07/34/05/559073405.db2.gz IVZCRAFITVSBOW-OAQYLSRUSA-N 1 3 411.590 2.314 50 0 HEAAHO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)C1([NH+]2CCCC2)CCCCC1 ZINC000670469786 568982966 /nfs/dbraw/zinc/98/29/66/568982966.db2.gz AEDXXMJWKLPWTG-XRODLIKFSA-N 1 3 422.617 2.469 50 0 HEAAHO COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000020540426 524071228 /nfs/dbraw/zinc/07/12/28/524071228.db2.gz XKZUFVZRROZRJX-FQEVSTJZSA-N 1 3 400.523 2.043 50 0 HEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCN1CCCCO1 ZINC000012075327 558319469 /nfs/dbraw/zinc/31/94/69/558319469.db2.gz BVLLKQOXWJDCKT-QFIPXVFZSA-N 1 3 424.630 2.075 50 0 HEAAHO COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000020996489 558426841 /nfs/dbraw/zinc/42/68/41/558426841.db2.gz ZPZACAAWBDNKJK-NRFANRHFSA-N 1 3 405.583 2.447 50 0 HEAAHO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014538284 558659040 /nfs/dbraw/zinc/65/90/40/558659040.db2.gz ZGTXIVPUEKQOOT-FGZHOGPDSA-N 1 3 409.578 2.345 50 0 HEAAHO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014538284 558659042 /nfs/dbraw/zinc/65/90/42/558659042.db2.gz ZGTXIVPUEKQOOT-FGZHOGPDSA-N 1 3 409.578 2.345 50 0 HEAAHO CC(=O)NC1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095497398 559081694 /nfs/dbraw/zinc/08/16/94/559081694.db2.gz XOQJWIHPEVZYTL-QFIPXVFZSA-N 1 3 403.567 2.403 50 0 HEAAHO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)CC1 ZINC000019841151 558294168 /nfs/dbraw/zinc/29/41/68/558294168.db2.gz ROZPEQHZIPAKEX-JOCHJYFZSA-N 1 3 413.562 2.362 50 0 HEAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCCn2nc(C)cc2C)cc1OC ZINC000012463589 558419857 /nfs/dbraw/zinc/41/98/57/558419857.db2.gz KRTCWMHZCSUWCO-FQEVSTJZSA-N 1 3 404.555 2.380 50 0 HEAAHO O[C@H](COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)CN1CCC(O)CC1 ZINC000012385582 558499430 /nfs/dbraw/zinc/49/94/30/558499430.db2.gz BDKPABHMDZNQAT-QFIPXVFZSA-N 1 3 402.510 2.354 50 0 HEAAHO COc1cc(CN2CC(N3CCCCC3)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095522783 559085627 /nfs/dbraw/zinc/08/56/27/559085627.db2.gz HOPYVAXMNLBEQK-NRFANRHFSA-N 1 3 403.567 2.201 50 0 HEAAHO