smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000770770605 1078989670 /nfs/dbraw/zinc/98/96/70/1078989670.db2.gz NCCBXRSHJFGLBV-RTWAWAEBSA-N 1 3 401.555 2.193 20 0 HEADHO COC(=O)CCN(CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943705 1079082308 /nfs/dbraw/zinc/08/23/08/1079082308.db2.gz ZUNYZPDLVRWMOD-LJQANCHMSA-N 1 3 405.539 2.003 20 0 HEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000771460123 1079333970 /nfs/dbraw/zinc/33/39/70/1079333970.db2.gz AUICEJNFOUXNNG-UHFFFAOYSA-N 1 3 416.566 2.422 20 0 HEADHO C[NH+](C)CCn1c(=O)ccc2c1CCN([C@@H]1CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001169772248 1079406537 /nfs/dbraw/zinc/40/65/37/1079406537.db2.gz RGGJYSTXQBYDRF-JOCHJYFZSA-N 1 3 422.573 2.115 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000741277080 1076441468 /nfs/dbraw/zinc/44/14/68/1076441468.db2.gz SCFAKVIGWUUBLC-IBGZPJMESA-N 1 3 423.602 2.148 20 0 HEADHO COc1ccc(OC)c([C@H](O)CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000741805023 1076643897 /nfs/dbraw/zinc/64/38/97/1076643897.db2.gz FSHLZVLBSFUOQB-HXUWFJFHSA-N 1 3 421.582 2.153 20 0 HEADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)N1CCC(C)CC1 ZINC000743413110 1077049095 /nfs/dbraw/zinc/04/90/95/1077049095.db2.gz AVFHTLBCZDEHKG-IBGZPJMESA-N 1 3 415.582 2.004 20 0 HEADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)N1CCC(C)CC1 ZINC000743413110 1077049103 /nfs/dbraw/zinc/04/91/03/1077049103.db2.gz AVFHTLBCZDEHKG-IBGZPJMESA-N 1 3 415.582 2.004 20 0 HEADHO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000766913313 1079503971 /nfs/dbraw/zinc/50/39/71/1079503971.db2.gz JNPYLRACLSCHQE-IIBYNOLFSA-N 1 3 406.546 2.496 20 0 HEADHO CCOC(=O)c1c2c(sc1NC(=O)CN[C@H](CO)C1CC1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000771817722 1079546218 /nfs/dbraw/zinc/54/62/18/1079546218.db2.gz IDZGMDAAAJMLPI-CQSZACIVSA-N 1 3 423.579 2.383 20 0 HEADHO C[C@H]1CCCN1C(=O)c1nn(-c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1CNCC2 ZINC001164851975 720806277 /nfs/dbraw/zinc/80/62/77/720806277.db2.gz MDBBTIMQMCAWBX-INIZCTEOSA-N 1 3 424.549 2.011 20 0 HEADHO Cn1cc(-c2cnc3n2CCN(C)C32CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC001169133346 1079152140 /nfs/dbraw/zinc/15/21/40/1079152140.db2.gz DQNNWGMKMNQHNH-ACDBMABISA-N 1 3 409.582 2.145 20 0 HEADHO Cn1cc(-c2cnc3n2CCN(C)C32CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC001169133346 1079152145 /nfs/dbraw/zinc/15/21/45/1079152145.db2.gz DQNNWGMKMNQHNH-ACDBMABISA-N 1 3 409.582 2.145 20 0 HEADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001169433095 1079300923 /nfs/dbraw/zinc/30/09/23/1079300923.db2.gz RTUMXJYHBXVSLC-AZUAARDMSA-N 1 3 402.583 2.038 20 0 HEADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605617 1079343189 /nfs/dbraw/zinc/34/31/89/1079343189.db2.gz LCQWWGWHGFZKCI-YADHBBJMSA-N 1 3 400.567 2.395 20 0 HEADHO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C(C)(C)C(C)(C)N)C[C@H]1C(=O)N1CCSC1 ZINC001170028342 1079378963 /nfs/dbraw/zinc/37/89/63/1079378963.db2.gz BCQOKXGCBCNKQM-KGLIPLIRSA-N 1 3 400.589 2.003 20 0 HEADHO C[NH+](C)CCn1c(=O)ccc2c1CCN([C@H]1CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001169772251 1079406634 /nfs/dbraw/zinc/40/66/34/1079406634.db2.gz RGGJYSTXQBYDRF-QFIPXVFZSA-N 1 3 422.573 2.115 20 0 HEADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169908593 1079473348 /nfs/dbraw/zinc/47/33/48/1079473348.db2.gz WJWAPJLKMCCYFP-VQTJNVASSA-N 1 3 401.551 2.077 20 0 HEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000743593172 1077073911 /nfs/dbraw/zinc/07/39/11/1077073911.db2.gz ATNGQUWANOPCTN-YPAWHYETSA-N 1 3 400.567 2.403 20 0 HEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000743593172 1077073917 /nfs/dbraw/zinc/07/39/17/1077073917.db2.gz ATNGQUWANOPCTN-YPAWHYETSA-N 1 3 400.567 2.403 20 0 HEADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164434588 718971098 /nfs/dbraw/zinc/97/10/98/718971098.db2.gz UFCAIWGDUPNRIT-RTBURBONSA-N 1 3 412.456 2.197 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743464 720813141 /nfs/dbraw/zinc/81/31/41/720813141.db2.gz GCECZVJZXUYKSV-QHAWAJNXSA-N 1 3 422.581 2.356 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743464 720813144 /nfs/dbraw/zinc/81/31/44/720813144.db2.gz GCECZVJZXUYKSV-QHAWAJNXSA-N 1 3 422.581 2.356 20 0 HEADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896771 721439662 /nfs/dbraw/zinc/43/96/62/721439662.db2.gz RZBLRZMJTJAQDQ-VWNXMTODSA-N 1 3 413.610 2.441 20 0 HEADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896771 721439664 /nfs/dbraw/zinc/43/96/64/721439664.db2.gz RZBLRZMJTJAQDQ-VWNXMTODSA-N 1 3 413.610 2.441 20 0 HEADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164911025 721554979 /nfs/dbraw/zinc/55/49/79/721554979.db2.gz YCJXIHUWDQHFML-PXNSSMCTSA-N 1 3 413.497 2.088 20 0 HEADHO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2=O)cc1 ZINC001168917522 1079075141 /nfs/dbraw/zinc/07/51/41/1079075141.db2.gz WLNBSIFPGKYXMH-NJDAHSKKSA-N 1 3 401.551 2.419 20 0 HEADHO CC[NH+](CC)CCN1CCN([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168920104 1079075794 /nfs/dbraw/zinc/07/57/94/1079075794.db2.gz LOFAXXHWFRQYEL-NRFANRHFSA-N 1 3 402.583 2.146 20 0 HEADHO Cc1nc(CN2CCN(C)C3(CCN([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)cs1 ZINC001169133736 1079152113 /nfs/dbraw/zinc/15/21/13/1079152113.db2.gz JKMDCHJXFXZMEA-ACDBMABISA-N 1 3 417.623 2.185 20 0 HEADHO Cc1nc(CN2CCN(C)C3(CCN([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)C2=O)cs1 ZINC001169133736 1079152115 /nfs/dbraw/zinc/15/21/15/1079152115.db2.gz JKMDCHJXFXZMEA-ACDBMABISA-N 1 3 417.623 2.185 20 0 HEADHO CCOC(=O)N1CCC[C@H](N2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001169695178 1079375867 /nfs/dbraw/zinc/37/58/67/1079375867.db2.gz UINMRMDXZLTQEG-SFHVURJKSA-N 1 3 407.559 2.178 20 0 HEADHO CCN1CCN(CCC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000738549151 1076001001 /nfs/dbraw/zinc/00/10/01/1076001001.db2.gz ORHZBYKDTFMLCY-UHFFFAOYSA-N 1 3 401.599 2.431 20 0 HEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363266 1079830287 /nfs/dbraw/zinc/83/02/87/1079830287.db2.gz JARATYHBGGHWJW-RTBURBONSA-N 1 3 408.587 2.262 20 0 HEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363266 1079830290 /nfs/dbraw/zinc/83/02/90/1079830290.db2.gz JARATYHBGGHWJW-RTBURBONSA-N 1 3 408.587 2.262 20 0 HEADHO C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000785574379 1080083540 /nfs/dbraw/zinc/08/35/40/1080083540.db2.gz OVTKTUFITFPMHU-IBGZPJMESA-N 1 3 400.567 2.279 20 0 HEADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)N3CCCCC3)c2)CC1 ZINC000768037053 1080279270 /nfs/dbraw/zinc/27/92/70/1080279270.db2.gz QJQYSKBYBCWAQU-IBGZPJMESA-N 1 3 415.582 2.146 20 0 HEADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786825446 1080846308 /nfs/dbraw/zinc/84/63/08/1080846308.db2.gz GOAWQWLIZIKHMT-KRWDZBQOSA-N 1 3 409.534 2.358 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)CC2)CC1 ZINC000787127467 1081035857 /nfs/dbraw/zinc/03/58/57/1081035857.db2.gz CZLIPRWXUZXEDT-LJQANCHMSA-N 1 3 412.937 2.370 20 0 HEADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164434587 718970840 /nfs/dbraw/zinc/97/08/40/718970840.db2.gz UFCAIWGDUPNRIT-RBUKOAKNSA-N 1 3 412.456 2.197 20 0 HEADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164766712 721241336 /nfs/dbraw/zinc/24/13/36/721241336.db2.gz VIGCHDIDCLBXEV-LEWJYISDSA-N 1 3 410.566 2.152 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131812 1079151445 /nfs/dbraw/zinc/15/14/45/1079151445.db2.gz ZTSFIOHPQDODEV-ACDBMABISA-N 1 3 420.598 2.403 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131812 1079151449 /nfs/dbraw/zinc/15/14/49/1079151449.db2.gz ZTSFIOHPQDODEV-ACDBMABISA-N 1 3 420.598 2.403 20 0 HEADHO C[C@H]([NH3+])c1ccn(-c2nc(CN3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229990 1079204162 /nfs/dbraw/zinc/20/41/62/1079204162.db2.gz NEPFHQZMDJFMKB-LSDHHAIUSA-N 1 3 400.527 2.086 20 0 HEADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605609 1079343203 /nfs/dbraw/zinc/34/32/03/1079343203.db2.gz LCQWWGWHGFZKCI-FGZHOGPDSA-N 1 3 400.567 2.395 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(c4c(F)cccc4F)=NO3)CC2)CC1 ZINC000786028561 1080340771 /nfs/dbraw/zinc/34/07/71/1080340771.db2.gz PEBCYNWRLHWULY-IBGZPJMESA-N 1 3 406.477 2.133 20 0 HEADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769156134 1080975206 /nfs/dbraw/zinc/97/52/06/1080975206.db2.gz PZRCUYDZWVMGKA-FCHUYYIVSA-N 1 3 402.583 2.180 20 0 HEADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898270 721433063 /nfs/dbraw/zinc/43/30/63/721433063.db2.gz VNVRRFZHSMOBSX-UPVQGACJSA-N 1 3 413.610 2.443 20 0 HEADHO FC1(F)CCN(c2cc(C3C[NH2+]C3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164910573 721738791 /nfs/dbraw/zinc/73/87/91/721738791.db2.gz GJIIPSQLQQEAII-HXUWFJFHSA-N 1 3 400.477 2.296 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138479 1079155735 /nfs/dbraw/zinc/15/57/35/1079155735.db2.gz HHUKQIDIIGYBQQ-CEQLMSFQSA-N 1 3 410.566 2.371 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138479 1079155736 /nfs/dbraw/zinc/15/57/36/1079155736.db2.gz HHUKQIDIIGYBQQ-CEQLMSFQSA-N 1 3 410.566 2.371 20 0 HEADHO C[NH+](C)CCC(C)(C)N[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024525 1079240469 /nfs/dbraw/zinc/24/04/69/1079240469.db2.gz BLLAEYGWVCKXHD-HOTGVXAUSA-N 1 3 414.616 2.217 20 0 HEADHO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C(C)(C)C(C)(C)N)C[C@H]1C(=O)N1CCSC1 ZINC001170028341 1079378934 /nfs/dbraw/zinc/37/89/34/1079378934.db2.gz BCQOKXGCBCNKQM-KBPBESRZSA-N 1 3 400.589 2.003 20 0 HEADHO C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)(N2CCCCC2)CC1 ZINC000742011285 1076706762 /nfs/dbraw/zinc/70/67/62/1076706762.db2.gz NAKVCRXDRISXBP-SFHVURJKSA-N 1 3 416.541 2.245 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000743413782 1077049391 /nfs/dbraw/zinc/04/93/91/1077049391.db2.gz KKXVFZLOOWKMIS-LJQANCHMSA-N 1 3 415.582 2.004 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)CN3CC[C@@H](C[NH+](CC)CC)C3)cc2)CC1 ZINC000743863493 1077185449 /nfs/dbraw/zinc/18/54/49/1077185449.db2.gz QYEHALHOTXRTOG-FQEVSTJZSA-N 1 3 401.599 2.431 20 0 HEADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743979647 1077292457 /nfs/dbraw/zinc/29/24/57/1077292457.db2.gz HXFWKBIFGMMPAM-SFHVURJKSA-N 1 3 415.582 2.004 20 0 HEADHO C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1CNCC2 ZINC001164852679 720805731 /nfs/dbraw/zinc/80/57/31/720805731.db2.gz OHWJQMFIMKZDND-QGZVFWFLSA-N 1 3 424.549 2.012 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743458 720813286 /nfs/dbraw/zinc/81/32/86/720813286.db2.gz GCECZVJZXUYKSV-NJDAHSKKSA-N 1 3 422.581 2.356 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743458 720813287 /nfs/dbraw/zinc/81/32/87/720813287.db2.gz GCECZVJZXUYKSV-NJDAHSKKSA-N 1 3 422.581 2.356 20 0 HEADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CCN3C2)c1 ZINC001164872276 721124748 /nfs/dbraw/zinc/12/47/48/721124748.db2.gz HGBIMODPFRILAN-FCHUYYIVSA-N 1 3 423.561 2.431 20 0 HEADHO CCOC(=O)c1c[nH]c2cc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH+]cc21 ZINC001164766084 721188506 /nfs/dbraw/zinc/18/85/06/721188506.db2.gz IWMZGNGEPAWOEQ-SJORKVTESA-N 1 3 408.506 2.431 20 0 HEADHO CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164808868 721565616 /nfs/dbraw/zinc/56/56/16/721565616.db2.gz WBINLRIYAUZEGI-ZFGGDYGUSA-N 1 3 422.577 2.097 20 0 HEADHO FC1(F)CCN(c2ncnc3c2CC[NH2+]CC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906154 721584372 /nfs/dbraw/zinc/58/43/72/721584372.db2.gz ZDKHNDOSSKDHPU-NRFANRHFSA-N 1 3 414.504 2.298 20 0 HEADHO FC1(F)CCN(c2cc(C3C[NH2+]C3)ncn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164910571 721738192 /nfs/dbraw/zinc/73/81/92/721738192.db2.gz GJIIPSQLQQEAII-FQEVSTJZSA-N 1 3 400.477 2.296 20 0 HEADHO CN(Cc1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1)C1CC1 ZINC001165016840 721766844 /nfs/dbraw/zinc/76/68/44/721766844.db2.gz YOOGENBUROYWOD-UHFFFAOYSA-N 1 3 404.522 2.494 20 0 HEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CO)Cc3ccc(F)cc3)CC2)CC1 ZINC001169104192 1079130602 /nfs/dbraw/zinc/13/06/02/1079130602.db2.gz QETKLOFCZXLYCB-HSZRJFAPSA-N 1 3 405.558 2.432 20 0 HEADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@H]([NH2+][C@H]1CCCC3(C1)OCCO3)C2 ZINC001169908589 1079473238 /nfs/dbraw/zinc/47/32/38/1079473238.db2.gz WJWAPJLKMCCYFP-PMACEKPBSA-N 1 3 401.551 2.077 20 0 HEADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)(N2CCCCC2)CC1 ZINC000742011283 1076706668 /nfs/dbraw/zinc/70/66/68/1076706668.db2.gz NAKVCRXDRISXBP-GOSISDBHSA-N 1 3 416.541 2.245 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742598380 1076854665 /nfs/dbraw/zinc/85/46/65/1076854665.db2.gz ANAYQNZAQLBQDR-LJQANCHMSA-N 1 3 408.587 2.451 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000768957525 1080883011 /nfs/dbraw/zinc/88/30/11/1080883011.db2.gz QNZFQVBFDGVVEY-YADHBBJMSA-N 1 3 415.582 2.328 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)CN3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670257 1081105974 /nfs/dbraw/zinc/10/59/74/1081105974.db2.gz YEYVSDNMHHQCGN-OAQYLSRUSA-N 1 3 413.610 2.431 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)CN3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670257 1081105985 /nfs/dbraw/zinc/10/59/85/1081105985.db2.gz YEYVSDNMHHQCGN-OAQYLSRUSA-N 1 3 413.610 2.431 20 0 HEADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CCN3C2)c1 ZINC001164872279 721126327 /nfs/dbraw/zinc/12/63/27/721126327.db2.gz HGBIMODPFRILAN-FGZHOGPDSA-N 1 3 423.561 2.431 20 0 HEADHO FC1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906630 721714580 /nfs/dbraw/zinc/71/45/80/721714580.db2.gz NJIJVFJSOIYSTG-FQEVSTJZSA-N 1 3 400.477 2.255 20 0 HEADHO COc1ccc(CN2CC[C@@H](N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902418 1079070522 /nfs/dbraw/zinc/07/05/22/1079070522.db2.gz BCKWQQXMQWSGMG-IEBWSBKVSA-N 1 3 420.554 2.366 20 0 HEADHO O=C(C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC001169742786 1079385996 /nfs/dbraw/zinc/38/59/96/1079385996.db2.gz BYKPNEOHIQOBNE-OAQYLSRUSA-N 1 3 412.578 2.358 20 0 HEADHO Cc1ccc(N2C[C@H](C(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)CC2=O)cc1 ZINC000742010163 1076706114 /nfs/dbraw/zinc/70/61/14/1076706114.db2.gz CIVOWEUWPAWTGW-HXUWFJFHSA-N 1 3 412.578 2.414 20 0 HEADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000743413076 1077048849 /nfs/dbraw/zinc/04/88/49/1077048849.db2.gz ZQRLBAULWZRIAC-JOCHJYFZSA-N 1 3 400.567 2.202 20 0 HEADHO C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000785574380 1080083505 /nfs/dbraw/zinc/08/35/05/1080083505.db2.gz OVTKTUFITFPMHU-LJQANCHMSA-N 1 3 400.567 2.279 20 0 HEADHO C[C@@H]1[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175676 1080479961 /nfs/dbraw/zinc/47/99/61/1080479961.db2.gz UAMWIBLZSOVKBA-APWZRJJASA-N 1 3 408.587 2.307 20 0 HEADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786855414 1080853243 /nfs/dbraw/zinc/85/32/43/1080853243.db2.gz IOPXMMFDYSTGLU-QGZVFWFLSA-N 1 3 409.534 2.358 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000768957523 1080882951 /nfs/dbraw/zinc/88/29/51/1080882951.db2.gz QNZFQVBFDGVVEY-FGZHOGPDSA-N 1 3 415.582 2.328 20 0 HEADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770026191 1078693909 /nfs/dbraw/zinc/69/39/09/1078693909.db2.gz IORFXDDGHHIASU-IBGZPJMESA-N 1 3 400.567 2.500 20 0 HEADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000746258543 1078834786 /nfs/dbraw/zinc/83/47/86/1078834786.db2.gz LYTVRRTVIRDTIH-QHCPKHFHSA-N 1 3 414.594 2.267 20 0 HEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000770770603 1078989424 /nfs/dbraw/zinc/98/94/24/1078989424.db2.gz NCCBXRSHJFGLBV-LEWJYISDSA-N 1 3 401.555 2.193 20 0 HEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894481 1079063875 /nfs/dbraw/zinc/06/38/75/1079063875.db2.gz QWMCOTBYFZAFNB-NZQKXSOJSA-N 1 3 424.630 2.360 20 0 HEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894481 1079063881 /nfs/dbraw/zinc/06/38/81/1079063881.db2.gz QWMCOTBYFZAFNB-NZQKXSOJSA-N 1 3 424.630 2.360 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138480 1079155753 /nfs/dbraw/zinc/15/57/53/1079155753.db2.gz HHUKQIDIIGYBQQ-KXTWHKPSSA-N 1 3 410.566 2.371 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138480 1079155756 /nfs/dbraw/zinc/15/57/56/1079155756.db2.gz HHUKQIDIIGYBQQ-KXTWHKPSSA-N 1 3 410.566 2.371 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000740489852 1076171172 /nfs/dbraw/zinc/17/11/72/1076171172.db2.gz BDGUFMBGZXFVFF-IBGZPJMESA-N 1 3 415.582 2.005 20 0 HEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740824539 1076247783 /nfs/dbraw/zinc/24/77/83/1076247783.db2.gz OTLIGSUELCXJPQ-UHFFFAOYSA-N 1 3 403.976 2.089 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)c3c(F)cccc3Cl)CC2)CC1 ZINC000741276105 1076440964 /nfs/dbraw/zinc/44/09/64/1076440964.db2.gz PYIUTIOEGMGLPR-SFHVURJKSA-N 1 3 412.937 2.370 20 0 HEADHO CC(C)[NH+]1CCC(NC(=O)COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000745094726 1077727752 /nfs/dbraw/zinc/72/77/52/1077727752.db2.gz SJDZQIXKOBAUDT-UHFFFAOYSA-N 1 3 401.551 2.431 20 0 HEADHO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000771801960 1079536720 /nfs/dbraw/zinc/53/67/20/1079536720.db2.gz KAZBPNNHFAXYNW-QHCPKHFHSA-N 1 3 408.546 2.308 20 0 HEADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786890257 1080870527 /nfs/dbraw/zinc/87/05/27/1080870527.db2.gz QSWXBZYRFWXOMT-GCJKJVERSA-N 1 3 423.561 2.156 20 0 HEADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164712062 720102704 /nfs/dbraw/zinc/10/27/04/720102704.db2.gz UVQWAZSTOAZXGM-FQEVSTJZSA-N 1 3 408.550 2.025 20 0 HEADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164712062 720102709 /nfs/dbraw/zinc/10/27/09/720102709.db2.gz UVQWAZSTOAZXGM-FQEVSTJZSA-N 1 3 408.550 2.025 20 0 HEADHO c1cncc(CO[C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CCN3C2)c1 ZINC001164872282 721125218 /nfs/dbraw/zinc/12/52/18/721125218.db2.gz HGBIMODPFRILAN-VXKWHMMOSA-N 1 3 423.561 2.431 20 0 HEADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879550 721178123 /nfs/dbraw/zinc/17/81/23/721178123.db2.gz TYXWDZQTWBKKRV-OFNKIYASSA-N 1 3 423.561 2.429 20 0 HEADHO CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164808865 721565500 /nfs/dbraw/zinc/56/55/00/721565500.db2.gz WBINLRIYAUZEGI-DPLHUUCSSA-N 1 3 422.577 2.097 20 0 HEADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169794447 1079422376 /nfs/dbraw/zinc/42/23/76/1079422376.db2.gz OBPWHSFHLBSETH-KRWDZBQOSA-N 1 3 404.555 2.085 20 0 HEADHO COC(=O)Nc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000738474184 1076004085 /nfs/dbraw/zinc/00/40/85/1076004085.db2.gz AJBRCAJOOKUAHO-UHFFFAOYSA-N 1 3 417.554 2.265 20 0 HEADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1CCCC1 ZINC000739070712 1076037427 /nfs/dbraw/zinc/03/74/27/1076037427.db2.gz RRNFCTMWXFBGNF-SFHVURJKSA-N 1 3 415.582 2.004 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709569 1076074604 /nfs/dbraw/zinc/07/46/04/1076074604.db2.gz WECQUAIEHUPDDV-RBUKOAKNSA-N 1 3 408.587 2.355 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000741277081 1076441540 /nfs/dbraw/zinc/44/15/40/1076441540.db2.gz SCFAKVIGWUUBLC-LJQANCHMSA-N 1 3 423.602 2.148 20 0 HEADHO Cc1ccc(N2CCNC2=O)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000786297349 1080542029 /nfs/dbraw/zinc/54/20/29/1080542029.db2.gz RNQBRFKZENPEOX-UHFFFAOYSA-N 1 3 414.554 2.205 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)CC2)CC1 ZINC000787127466 1081035266 /nfs/dbraw/zinc/03/52/66/1081035266.db2.gz CZLIPRWXUZXEDT-IBGZPJMESA-N 1 3 412.937 2.370 20 0 HEADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164434585 718970971 /nfs/dbraw/zinc/97/09/71/718970971.db2.gz UFCAIWGDUPNRIT-MOPGFXCFSA-N 1 3 412.456 2.197 20 0 HEADHO CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164808863 721565043 /nfs/dbraw/zinc/56/50/43/721565043.db2.gz WBINLRIYAUZEGI-AWRGLXIESA-N 1 3 422.577 2.097 20 0 HEADHO Cn1cc(-c2cnc3n2CCN(C)C32CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC001169133347 1079152066 /nfs/dbraw/zinc/15/20/66/1079152066.db2.gz DQNNWGMKMNQHNH-PMOLBWCYSA-N 1 3 409.582 2.145 20 0 HEADHO Cn1cc(-c2cnc3n2CCN(C)C32CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC001169133347 1079152069 /nfs/dbraw/zinc/15/20/69/1079152069.db2.gz DQNNWGMKMNQHNH-PMOLBWCYSA-N 1 3 409.582 2.145 20 0 HEADHO CC1(C)C[C@@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169142269 1079164589 /nfs/dbraw/zinc/16/45/89/1079164589.db2.gz MEFIKURIHNZOQM-OXQOHEQNSA-N 1 3 409.600 2.119 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000742598374 1076854693 /nfs/dbraw/zinc/85/46/93/1076854693.db2.gz ANAYQNZAQLBQDR-IBGZPJMESA-N 1 3 408.587 2.451 20 0 HEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000787142560 1081026040 /nfs/dbraw/zinc/02/60/40/1081026040.db2.gz BBNGIOCFLIQWGK-IBGZPJMESA-N 1 3 400.567 2.066 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819619 720295510 /nfs/dbraw/zinc/29/55/10/720295510.db2.gz FCWSJVAFUCBRGU-WOJBJXKFSA-N 1 3 412.582 2.297 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819618 720295930 /nfs/dbraw/zinc/29/59/30/720295930.db2.gz FCWSJVAFUCBRGU-VQTJNVASSA-N 1 3 412.582 2.297 20 0 HEADHO CC(C)N1CCN(C2CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001168839601 1079050435 /nfs/dbraw/zinc/05/04/35/1079050435.db2.gz VNDCRXXUGJPQIF-JOCHJYFZSA-N 1 3 412.619 2.095 20 0 HEADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC001168839564 1079050449 /nfs/dbraw/zinc/05/04/49/1079050449.db2.gz VFNOPEIQGJSBNX-NZQKXSOJSA-N 1 3 409.615 2.351 20 0 HEADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)CC1 ZINC001169091339 1079138707 /nfs/dbraw/zinc/13/87/07/1079138707.db2.gz NOABZSYXKIRGFW-UHFFFAOYSA-N 1 3 400.611 2.368 20 0 HEADHO CC1(C)C[C@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169142265 1079164761 /nfs/dbraw/zinc/16/47/61/1079164761.db2.gz MEFIKURIHNZOQM-JXFKEZNVSA-N 1 3 409.600 2.119 20 0 HEADHO C[C@@H]([NH3+])c1ccn(-c2nc(CN3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229987 1079204084 /nfs/dbraw/zinc/20/40/84/1079204084.db2.gz NEPFHQZMDJFMKB-CABCVRRESA-N 1 3 400.527 2.086 20 0 HEADHO O=C(C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC001169742785 1079385944 /nfs/dbraw/zinc/38/59/44/1079385944.db2.gz BYKPNEOHIQOBNE-NRFANRHFSA-N 1 3 412.578 2.358 20 0 HEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741807032 1076634125 /nfs/dbraw/zinc/63/41/25/1076634125.db2.gz UBLMQGIDKIBBGK-FQEVSTJZSA-N 1 3 416.566 2.428 20 0 HEADHO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000767330748 1079808085 /nfs/dbraw/zinc/80/80/85/1079808085.db2.gz IJPNBHHDKGREBW-CAOQBOHGSA-N 1 3 401.551 2.209 20 0 HEADHO COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000767330748 1079808087 /nfs/dbraw/zinc/80/80/87/1079808087.db2.gz IJPNBHHDKGREBW-CAOQBOHGSA-N 1 3 401.551 2.209 20 0 HEADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768726577 1080756290 /nfs/dbraw/zinc/75/62/90/1080756290.db2.gz JLBBHGJAQXEGLQ-SFHVURJKSA-N 1 3 402.539 2.090 20 0 HEADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786855413 1080853218 /nfs/dbraw/zinc/85/32/18/1080853218.db2.gz IOPXMMFDYSTGLU-KRWDZBQOSA-N 1 3 409.534 2.358 20 0 HEADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769156139 1080975279 /nfs/dbraw/zinc/97/52/79/1080975279.db2.gz PZRCUYDZWVMGKA-VXKWHMMOSA-N 1 3 402.583 2.180 20 0 HEADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c1CCNC3)CCC2 ZINC001164812904 720232652 /nfs/dbraw/zinc/23/26/52/720232652.db2.gz KEYBLFZUEGRRIG-UHFFFAOYSA-N 1 3 416.957 2.188 20 0 HEADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c1CCNC3)CCC2 ZINC001164812904 720232663 /nfs/dbraw/zinc/23/26/63/720232663.db2.gz KEYBLFZUEGRRIG-UHFFFAOYSA-N 1 3 416.957 2.188 20 0 HEADHO COc1ccc(CN2CC[C@@H](N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902419 1079070450 /nfs/dbraw/zinc/07/04/50/1079070450.db2.gz BCKWQQXMQWSGMG-MJGOQNOKSA-N 1 3 420.554 2.366 20 0 HEADHO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2=O)cc1 ZINC001168917521 1079075185 /nfs/dbraw/zinc/07/51/85/1079075185.db2.gz WLNBSIFPGKYXMH-ACRUOGEOSA-N 1 3 401.551 2.419 20 0 HEADHO Cc1nc(CN2CCN(C)C3(CCN([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)cs1 ZINC001169133737 1079152209 /nfs/dbraw/zinc/15/22/09/1079152209.db2.gz JKMDCHJXFXZMEA-PMOLBWCYSA-N 1 3 417.623 2.185 20 0 HEADHO Cc1nc(CN2CCN(C)C3(CCN([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)C2=O)cs1 ZINC001169133737 1079152210 /nfs/dbraw/zinc/15/22/10/1079152210.db2.gz JKMDCHJXFXZMEA-PMOLBWCYSA-N 1 3 417.623 2.185 20 0 HEADHO C[NH+](C)CCC(C)(C)N[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024524 1079240338 /nfs/dbraw/zinc/24/03/38/1079240338.db2.gz BLLAEYGWVCKXHD-CVEARBPZSA-N 1 3 414.616 2.217 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)c3c(F)cccc3Cl)CC2)CC1 ZINC000741276104 1076440757 /nfs/dbraw/zinc/44/07/57/1076440757.db2.gz PYIUTIOEGMGLPR-GOSISDBHSA-N 1 3 412.937 2.370 20 0 HEADHO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000766913308 1079504042 /nfs/dbraw/zinc/50/40/42/1079504042.db2.gz JNPYLRACLSCHQE-HRAATJIYSA-N 1 3 406.546 2.496 20 0 HEADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768726576 1080756373 /nfs/dbraw/zinc/75/63/73/1080756373.db2.gz JLBBHGJAQXEGLQ-GOSISDBHSA-N 1 3 402.539 2.090 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670253 1081106022 /nfs/dbraw/zinc/10/60/22/1081106022.db2.gz YEYVSDNMHHQCGN-NRFANRHFSA-N 1 3 413.610 2.431 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)CN3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670253 1081106028 /nfs/dbraw/zinc/10/60/28/1081106028.db2.gz YEYVSDNMHHQCGN-NRFANRHFSA-N 1 3 413.610 2.431 20 0 HEADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164712065 720102833 /nfs/dbraw/zinc/10/28/33/720102833.db2.gz UVQWAZSTOAZXGM-HXUWFJFHSA-N 1 3 408.550 2.025 20 0 HEADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164712065 720102847 /nfs/dbraw/zinc/10/28/47/720102847.db2.gz UVQWAZSTOAZXGM-HXUWFJFHSA-N 1 3 408.550 2.025 20 0 HEADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164710376 720128757 /nfs/dbraw/zinc/12/87/57/720128757.db2.gz ABVZIHVQXXHEPE-FQEVSTJZSA-N 1 3 408.550 2.025 20 0 HEADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164710376 720128761 /nfs/dbraw/zinc/12/87/61/720128761.db2.gz ABVZIHVQXXHEPE-FQEVSTJZSA-N 1 3 408.550 2.025 20 0 HEADHO NCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757163 720882627 /nfs/dbraw/zinc/88/26/27/720882627.db2.gz TXUTWICDDSGCGI-NFBKMPQASA-N 1 3 408.550 2.085 20 0 HEADHO NCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757163 720882628 /nfs/dbraw/zinc/88/26/28/720882628.db2.gz TXUTWICDDSGCGI-NFBKMPQASA-N 1 3 408.550 2.085 20 0 HEADHO Cn1cc(CN2CC[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164762495 721182162 /nfs/dbraw/zinc/18/21/62/721182162.db2.gz CJSZNAXGWSNJOI-SFTDATJTSA-N 1 3 410.566 2.248 20 0 HEADHO COc1ccc2c(ccnc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164869863 721266976 /nfs/dbraw/zinc/26/69/76/721266976.db2.gz QZUQLWURWFWRAR-UHFFFAOYSA-N 1 3 412.534 2.250 20 0 HEADHO COc1ccc2c(ccnc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164869863 721266980 /nfs/dbraw/zinc/26/69/80/721266980.db2.gz QZUQLWURWFWRAR-UHFFFAOYSA-N 1 3 412.534 2.250 20 0 HEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894480 1079063477 /nfs/dbraw/zinc/06/34/77/1079063477.db2.gz QWMCOTBYFZAFNB-NFBKMPQASA-N 1 3 424.630 2.360 20 0 HEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894480 1079063483 /nfs/dbraw/zinc/06/34/83/1079063483.db2.gz QWMCOTBYFZAFNB-NFBKMPQASA-N 1 3 424.630 2.360 20 0 HEADHO COC(=O)CCN(CCC[NH+](C)C)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943704 1079081936 /nfs/dbraw/zinc/08/19/36/1079081936.db2.gz ZUNYZPDLVRWMOD-IBGZPJMESA-N 1 3 405.539 2.003 20 0 HEADHO C[C@@H]([NH3+])c1ccn(-c2nc(CN3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229989 1079204188 /nfs/dbraw/zinc/20/41/88/1079204188.db2.gz NEPFHQZMDJFMKB-HUUCEWRRSA-N 1 3 400.527 2.086 20 0 HEADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169794448 1079422085 /nfs/dbraw/zinc/42/20/85/1079422085.db2.gz OBPWHSFHLBSETH-QGZVFWFLSA-N 1 3 404.555 2.085 20 0 HEADHO C[C@@H]1[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175680 1080479557 /nfs/dbraw/zinc/47/95/57/1080479557.db2.gz UAMWIBLZSOVKBA-VQIMIIECSA-N 1 3 408.587 2.307 20 0 HEADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769156141 1080974592 /nfs/dbraw/zinc/97/45/92/1080974592.db2.gz PZRCUYDZWVMGKA-YADHBBJMSA-N 1 3 402.583 2.180 20 0 HEADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879548 721177355 /nfs/dbraw/zinc/17/73/55/721177355.db2.gz TYXWDZQTWBKKRV-NZQKXSOJSA-N 1 3 423.561 2.429 20 0 HEADHO Cn1cc(CN2CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164762492 721178143 /nfs/dbraw/zinc/17/81/43/721178143.db2.gz CJSZNAXGWSNJOI-RTWAWAEBSA-N 1 3 410.566 2.248 20 0 HEADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164766717 721242419 /nfs/dbraw/zinc/24/24/19/721242419.db2.gz VIGCHDIDCLBXEV-NHCUHLMSSA-N 1 3 410.566 2.152 20 0 HEADHO c1nc(CN(c2ccc(CN3CCCC3)cn2)c2ncccn2)c2n1CCC[NH2+]C2 ZINC001165015592 721766816 /nfs/dbraw/zinc/76/68/16/721766816.db2.gz SFWCQKGJFWVGKF-UHFFFAOYSA-N 1 3 404.522 2.496 20 0 HEADHO C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)N2CCCCC2)c1)[NH+]1CCCCC1 ZINC000746146646 1078805800 /nfs/dbraw/zinc/80/58/00/1078805800.db2.gz INZFPVDNGJVXCU-MOPGFXCFSA-N 1 3 415.582 2.290 20 0 HEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000770770604 1078989331 /nfs/dbraw/zinc/98/93/31/1078989331.db2.gz NCCBXRSHJFGLBV-NHCUHLMSSA-N 1 3 401.555 2.193 20 0 HEADHO COc1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000766457553 1079010796 /nfs/dbraw/zinc/01/07/96/1079010796.db2.gz KXIVARNTJGPTTF-AWEZNQCLSA-N 1 3 419.538 2.368 20 0 HEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001169433098 1079300856 /nfs/dbraw/zinc/30/08/56/1079300856.db2.gz RTUMXJYHBXVSLC-UYAOXDASSA-N 1 3 402.583 2.038 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)CN3CC[C@H](C[NH+](CC)CC)C3)cc2)CC1 ZINC000743863494 1077185573 /nfs/dbraw/zinc/18/55/73/1077185573.db2.gz QYEHALHOTXRTOG-HXUWFJFHSA-N 1 3 401.599 2.431 20 0 HEADHO COC(=O)/C=C1/SCC(=O)N1CCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744426058 1077388372 /nfs/dbraw/zinc/38/83/72/1077388372.db2.gz OGMIGWVZYXXNRA-DBRLUCFCSA-N 1 3 417.575 2.420 20 0 HEADHO COC(=O)/C=C1/SCC(=O)N1CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000744426058 1077388377 /nfs/dbraw/zinc/38/83/77/1077388377.db2.gz OGMIGWVZYXXNRA-DBRLUCFCSA-N 1 3 417.575 2.420 20 0 HEADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164434586 718971198 /nfs/dbraw/zinc/97/11/98/718971198.db2.gz UFCAIWGDUPNRIT-OALUTQOASA-N 1 3 412.456 2.197 20 0 HEADHO NCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757164 720882765 /nfs/dbraw/zinc/88/27/65/720882765.db2.gz TXUTWICDDSGCGI-NZQKXSOJSA-N 1 3 408.550 2.085 20 0 HEADHO NCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757164 720882768 /nfs/dbraw/zinc/88/27/68/720882768.db2.gz TXUTWICDDSGCGI-NZQKXSOJSA-N 1 3 408.550 2.085 20 0 HEADHO CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH+]cc21 ZINC001164766081 721186786 /nfs/dbraw/zinc/18/67/86/721186786.db2.gz IWMZGNGEPAWOEQ-IRXDYDNUSA-N 1 3 408.506 2.431 20 0 HEADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896768 721439606 /nfs/dbraw/zinc/43/96/06/721439606.db2.gz RZBLRZMJTJAQDQ-UPVQGACJSA-N 1 3 413.610 2.441 20 0 HEADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896768 721439609 /nfs/dbraw/zinc/43/96/09/721439609.db2.gz RZBLRZMJTJAQDQ-UPVQGACJSA-N 1 3 413.610 2.441 20 0 HEADHO COc1cc2cc[nH+]c(N3CCn4cc(CN5CCN(C)CC5)nc4C3)c2cc1OC ZINC001164798335 721514634 /nfs/dbraw/zinc/51/46/34/721514634.db2.gz SAEPNWCUGDPVNJ-UHFFFAOYSA-N 1 3 422.533 2.216 20 0 HEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CO)Cc3ccc(F)cc3)CC2)CC1 ZINC001169104193 1079130501 /nfs/dbraw/zinc/13/05/01/1079130501.db2.gz QETKLOFCZXLYCB-QHCPKHFHSA-N 1 3 405.558 2.432 20 0 HEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O1)C2 ZINC001169091444 1079138745 /nfs/dbraw/zinc/13/87/45/1079138745.db2.gz RGPSGBCFLVZTKY-BMFAXAFESA-N 1 3 418.513 2.202 20 0 HEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CO)Cc3ccccc3OC)CC2)CC1 ZINC001169091701 1079139245 /nfs/dbraw/zinc/13/92/45/1079139245.db2.gz BEUXSAMJQWVWJL-XMMPIXPASA-N 1 3 417.594 2.301 20 0 HEADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605613 1079343259 /nfs/dbraw/zinc/34/32/59/1079343259.db2.gz LCQWWGWHGFZKCI-VXKWHMMOSA-N 1 3 400.567 2.395 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000740489855 1076171511 /nfs/dbraw/zinc/17/15/11/1076171511.db2.gz BDGUFMBGZXFVFF-LJQANCHMSA-N 1 3 415.582 2.005 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000743413781 1077049451 /nfs/dbraw/zinc/04/94/51/1077049451.db2.gz KKXVFZLOOWKMIS-IBGZPJMESA-N 1 3 415.582 2.004 20 0 HEADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000743589303 1077073368 /nfs/dbraw/zinc/07/33/68/1077073368.db2.gz HYWZOJUCDKPYOR-QGZVFWFLSA-N 1 3 423.602 2.196 20 0 HEADHO O[C@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000767690573 1080041758 /nfs/dbraw/zinc/04/17/58/1080041758.db2.gz RDMSFONNRLWVJH-YADHBBJMSA-N 1 3 416.635 2.493 20 0 HEADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CCN3C2)c1 ZINC001164872286 721125164 /nfs/dbraw/zinc/12/51/64/721125164.db2.gz HGBIMODPFRILAN-YADHBBJMSA-N 1 3 423.561 2.431 20 0 HEADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1 ZINC001164866789 721189460 /nfs/dbraw/zinc/18/94/60/721189460.db2.gz DBRKKFBHWHIMKI-GMAHTHKFSA-N 1 3 423.561 2.335 20 0 HEADHO C[C@@H]1C[C@@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849873 1079061710 /nfs/dbraw/zinc/06/17/10/1079061710.db2.gz MDYDNRKLCYTSPF-IEBWSBKVSA-N 1 3 418.582 2.208 20 0 HEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001169433097 1079301049 /nfs/dbraw/zinc/30/10/49/1079301049.db2.gz RTUMXJYHBXVSLC-QUCCMNQESA-N 1 3 402.583 2.038 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709568 1076074456 /nfs/dbraw/zinc/07/44/56/1076074456.db2.gz WECQUAIEHUPDDV-OALUTQOASA-N 1 3 408.587 2.355 20 0 HEADHO CCOC(=O)c1c2c(sc1NC(=O)CN[C@@H](CO)C1CC1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000771817719 1079546356 /nfs/dbraw/zinc/54/63/56/1079546356.db2.gz IDZGMDAAAJMLPI-AWEZNQCLSA-N 1 3 423.579 2.383 20 0 HEADHO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000768724490 1080741585 /nfs/dbraw/zinc/74/15/85/1080741585.db2.gz DUJGUHNSFAKJTJ-UHFFFAOYSA-N 1 3 411.591 2.053 20 0 HEADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncccc1CN1CCCC1)C2 ZINC001164433481 718971468 /nfs/dbraw/zinc/97/14/68/718971468.db2.gz LQBSOVSDKWFSBY-RBUKOAKNSA-N 1 3 412.456 2.199 20 0 HEADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879552 721177982 /nfs/dbraw/zinc/17/79/82/721177982.db2.gz TYXWDZQTWBKKRV-REWPJTCUSA-N 1 3 423.561 2.429 20 0 HEADHO FC1(F)CCN(c2ncnc3c2CC[NH2+]CC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906156 721583922 /nfs/dbraw/zinc/58/39/22/721583922.db2.gz ZDKHNDOSSKDHPU-OAQYLSRUSA-N 1 3 414.504 2.298 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099469 1078794066 /nfs/dbraw/zinc/79/40/66/1078794066.db2.gz UVEFDNKSJDIEJE-XMMPIXPASA-N 1 3 408.546 2.404 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099469 1078794073 /nfs/dbraw/zinc/79/40/73/1078794073.db2.gz UVEFDNKSJDIEJE-XMMPIXPASA-N 1 3 408.546 2.404 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(O)(c4cccnc4)CC3)CC2)CC1 ZINC000770386535 1078849291 /nfs/dbraw/zinc/84/92/91/1078849291.db2.gz ATCUKRIQMYFEBA-UHFFFAOYSA-N 1 3 415.582 2.070 20 0 HEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000770770606 1078989760 /nfs/dbraw/zinc/98/97/60/1078989760.db2.gz NCCBXRSHJFGLBV-SFTDATJTSA-N 1 3 401.555 2.193 20 0 HEADHO C[C@@H]1C[C@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849874 1079061732 /nfs/dbraw/zinc/06/17/32/1079061732.db2.gz MDYDNRKLCYTSPF-MJGOQNOKSA-N 1 3 418.582 2.208 20 0 HEADHO CC[NH+]1CCC(N2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CC1 ZINC001169250823 1079211993 /nfs/dbraw/zinc/21/19/93/1079211993.db2.gz TVDJGSJCODWFHN-UHFFFAOYSA-N 1 3 412.582 2.469 20 0 HEADHO CC[N@H+](CCO)CCNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000769232317 1081010501 /nfs/dbraw/zinc/01/05/01/1081010501.db2.gz LQTQJSHCDDWBQL-UHFFFAOYSA-N 1 3 419.570 2.327 20 0 HEADHO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000769232317 1081010510 /nfs/dbraw/zinc/01/05/10/1081010510.db2.gz LQTQJSHCDDWBQL-UHFFFAOYSA-N 1 3 419.570 2.327 20 0 HEADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncccc1CN1CCCC1)C2 ZINC001164433480 718972016 /nfs/dbraw/zinc/97/20/16/718972016.db2.gz LQBSOVSDKWFSBY-OALUTQOASA-N 1 3 412.456 2.199 20 0 HEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O1)C2 ZINC001169091445 1079138697 /nfs/dbraw/zinc/13/86/97/1079138697.db2.gz RGPSGBCFLVZTKY-ZMMAXQRCSA-N 1 3 418.513 2.202 20 0 HEADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000743413077 1077048814 /nfs/dbraw/zinc/04/88/14/1077048814.db2.gz ZQRLBAULWZRIAC-QFIPXVFZSA-N 1 3 400.567 2.202 20 0 HEADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)N1CCC(C)CC1 ZINC000743413111 1077048968 /nfs/dbraw/zinc/04/89/68/1077048968.db2.gz AVFHTLBCZDEHKG-LJQANCHMSA-N 1 3 415.582 2.004 20 0 HEADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)N1CCC(C)CC1 ZINC000743413111 1077048972 /nfs/dbraw/zinc/04/89/72/1077048972.db2.gz AVFHTLBCZDEHKG-LJQANCHMSA-N 1 3 415.582 2.004 20 0 HEADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786825447 1080846402 /nfs/dbraw/zinc/84/64/02/1080846402.db2.gz GOAWQWLIZIKHMT-QGZVFWFLSA-N 1 3 409.534 2.358 20 0 HEADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncccc1CN1CCCC1)C2 ZINC001164433482 718971687 /nfs/dbraw/zinc/97/16/87/718971687.db2.gz LQBSOVSDKWFSBY-RTBURBONSA-N 1 3 412.456 2.199 20 0 HEADHO CCOC(=O)c1cnc2cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH]cc1-2 ZINC001165010444 721743739 /nfs/dbraw/zinc/74/37/39/721743739.db2.gz MLLPWDQYRSGMJR-UHFFFAOYSA-N 1 3 413.522 2.263 20 0 HEADHO CN(C)C(=O)CN1CCC2(CCCN2c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001165012910 721748471 /nfs/dbraw/zinc/74/84/71/721748471.db2.gz REGFLTXSDLKKNO-UHFFFAOYSA-N 1 3 415.582 2.078 20 0 HEADHO CC(C)N1CCN(C2CC[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001168839602 1079050415 /nfs/dbraw/zinc/05/04/15/1079050415.db2.gz VNDCRXXUGJPQIF-QFIPXVFZSA-N 1 3 412.619 2.095 20 0 HEADHO COc1ccc(CN2CC[C@H](N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902420 1079070551 /nfs/dbraw/zinc/07/05/51/1079070551.db2.gz BCKWQQXMQWSGMG-PKOBYXMFSA-N 1 3 420.554 2.366 20 0 HEADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085738 1076041738 /nfs/dbraw/zinc/04/17/38/1076041738.db2.gz IFUUNKXNHMJONR-NRFANRHFSA-N 1 3 415.582 2.004 20 0 HEADHO CC[N@H+](CCCN(C)C)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054317 1080367336 /nfs/dbraw/zinc/36/73/36/1080367336.db2.gz FMIVBZQRLRGNOJ-IRXDYDNUSA-N 1 3 414.616 2.171 20 0 HEADHO CC[N@@H+](CCCN(C)C)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054317 1080367340 /nfs/dbraw/zinc/36/73/40/1080367340.db2.gz FMIVBZQRLRGNOJ-IRXDYDNUSA-N 1 3 414.616 2.171 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000769085495 1080933544 /nfs/dbraw/zinc/93/35/44/1080933544.db2.gz IFZGHCDLXMTYFD-UHFFFAOYSA-N 1 3 411.591 2.148 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139977 1079143190 /nfs/dbraw/zinc/14/31/90/1079143190.db2.gz PGPXWDPAJHBPSH-MILMJNAHSA-N 1 3 413.595 2.329 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139977 1079143195 /nfs/dbraw/zinc/14/31/95/1079143195.db2.gz PGPXWDPAJHBPSH-MILMJNAHSA-N 1 3 413.595 2.329 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131813 1079151223 /nfs/dbraw/zinc/15/12/23/1079151223.db2.gz ZTSFIOHPQDODEV-PMOLBWCYSA-N 1 3 420.598 2.403 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131813 1079151229 /nfs/dbraw/zinc/15/12/29/1079151229.db2.gz ZTSFIOHPQDODEV-PMOLBWCYSA-N 1 3 420.598 2.403 20 0 HEADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(C(=O)NC2CCN(C)CC2)nn1 ZINC001169174253 1079188653 /nfs/dbraw/zinc/18/86/53/1079188653.db2.gz BMARMZUVCGRLEY-UHFFFAOYSA-N 1 3 422.533 2.063 20 0 HEADHO C[C@H]([NH3+])c1ccn(-c2nc(CN3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229988 1079204270 /nfs/dbraw/zinc/20/42/70/1079204270.db2.gz NEPFHQZMDJFMKB-GJZGRUSLSA-N 1 3 400.527 2.086 20 0 HEADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001169433096 1079300963 /nfs/dbraw/zinc/30/09/63/1079300963.db2.gz RTUMXJYHBXVSLC-ICSRJNTNSA-N 1 3 402.583 2.038 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709567 1076074661 /nfs/dbraw/zinc/07/46/61/1076074661.db2.gz WECQUAIEHUPDDV-MOPGFXCFSA-N 1 3 408.587 2.355 20 0 HEADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000743589302 1077073445 /nfs/dbraw/zinc/07/34/45/1077073445.db2.gz HYWZOJUCDKPYOR-KRWDZBQOSA-N 1 3 423.602 2.196 20 0 HEADHO O[C@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000767690569 1080041622 /nfs/dbraw/zinc/04/16/22/1080041622.db2.gz RDMSFONNRLWVJH-VXKWHMMOSA-N 1 3 416.635 2.493 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743460 720813276 /nfs/dbraw/zinc/81/32/76/720813276.db2.gz GCECZVJZXUYKSV-PCCBWWKXSA-N 1 3 422.581 2.356 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743460 720813277 /nfs/dbraw/zinc/81/32/77/720813277.db2.gz GCECZVJZXUYKSV-PCCBWWKXSA-N 1 3 422.581 2.356 20 0 HEADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896766 721439462 /nfs/dbraw/zinc/43/94/62/721439462.db2.gz RZBLRZMJTJAQDQ-LADGPHEKSA-N 1 3 413.610 2.441 20 0 HEADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896766 721439464 /nfs/dbraw/zinc/43/94/64/721439464.db2.gz RZBLRZMJTJAQDQ-LADGPHEKSA-N 1 3 413.610 2.441 20 0 HEADHO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc3c1CCNC3)CCC2 ZINC001165001636 722255484 /nfs/dbraw/zinc/25/54/84/722255484.db2.gz DRWQTXYUYAULSI-UHFFFAOYSA-N 1 3 404.946 2.066 20 0 HEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894483 1079063795 /nfs/dbraw/zinc/06/37/95/1079063795.db2.gz QWMCOTBYFZAFNB-REWPJTCUSA-N 1 3 424.630 2.360 20 0 HEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894483 1079063799 /nfs/dbraw/zinc/06/37/99/1079063799.db2.gz QWMCOTBYFZAFNB-REWPJTCUSA-N 1 3 424.630 2.360 20 0 HEADHO CC[NH+](CC)CCN1CCN([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168920105 1079075973 /nfs/dbraw/zinc/07/59/73/1079075973.db2.gz LOFAXXHWFRQYEL-OAQYLSRUSA-N 1 3 402.583 2.146 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139980 1079144062 /nfs/dbraw/zinc/14/40/62/1079144062.db2.gz PGPXWDPAJHBPSH-NADOGSGZSA-N 1 3 413.595 2.329 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139980 1079144071 /nfs/dbraw/zinc/14/40/71/1079144071.db2.gz PGPXWDPAJHBPSH-NADOGSGZSA-N 1 3 413.595 2.329 20 0 HEADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@@H]([NH2+][C@H]1CCCC3(C1)OCCO3)C2 ZINC001169908591 1079473175 /nfs/dbraw/zinc/47/31/75/1079473175.db2.gz WJWAPJLKMCCYFP-UXHICEINSA-N 1 3 401.551 2.077 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC000739709570 1076074641 /nfs/dbraw/zinc/07/46/41/1076074641.db2.gz WECQUAIEHUPDDV-RTBURBONSA-N 1 3 408.587 2.355 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2)CC1 ZINC000743079260 1076946134 /nfs/dbraw/zinc/94/61/34/1076946134.db2.gz QDAWQMVPBXCDJX-NRFANRHFSA-N 1 3 403.571 2.403 20 0 HEADHO COC(=O)/C=C1\SCC(=O)N1CCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744426060 1077388428 /nfs/dbraw/zinc/38/84/28/1077388428.db2.gz OGMIGWVZYXXNRA-IAFWPLRWSA-N 1 3 417.575 2.420 20 0 HEADHO COC(=O)/C=C1\SCC(=O)N1CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000744426060 1077388436 /nfs/dbraw/zinc/38/84/36/1077388436.db2.gz OGMIGWVZYXXNRA-IAFWPLRWSA-N 1 3 417.575 2.420 20 0 HEADHO O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000771801956 1079536756 /nfs/dbraw/zinc/53/67/56/1079536756.db2.gz KAZBPNNHFAXYNW-HSZRJFAPSA-N 1 3 408.546 2.308 20 0 HEADHO C[C@H]1CCCN1C(=O)c1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1CNCC2 ZINC001164852677 720805542 /nfs/dbraw/zinc/80/55/42/720805542.db2.gz OHWJQMFIMKZDND-KRWDZBQOSA-N 1 3 424.549 2.012 20 0 HEADHO CCOC(=O)N1CCCN(CCCCC[N@@H+]2CCCN(C(=O)OCC)CC2)CC1 ZINC000740875480 1076277639 /nfs/dbraw/zinc/27/76/39/1076277639.db2.gz CVEMVFFEMUQJMW-UHFFFAOYSA-N 1 3 412.575 2.485 20 0 HEADHO CCOC(=O)N1CCCN(CCCCC[N@H+]2CCCN(C(=O)OCC)CC2)CC1 ZINC000740875480 1076277645 /nfs/dbraw/zinc/27/76/45/1076277645.db2.gz CVEMVFFEMUQJMW-UHFFFAOYSA-N 1 3 412.575 2.485 20 0 HEADHO Cc1ccc(N2C[C@@H](C(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)CC2=O)cc1 ZINC000742010161 1076706040 /nfs/dbraw/zinc/70/60/40/1076706040.db2.gz CIVOWEUWPAWTGW-FQEVSTJZSA-N 1 3 412.578 2.414 20 0 HEADHO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000767330747 1079808114 /nfs/dbraw/zinc/80/81/14/1079808114.db2.gz IJPNBHHDKGREBW-BRQYYXMRSA-N 1 3 401.551 2.209 20 0 HEADHO COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000767330747 1079808115 /nfs/dbraw/zinc/80/81/15/1079808115.db2.gz IJPNBHHDKGREBW-BRQYYXMRSA-N 1 3 401.551 2.209 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000768957524 1080882918 /nfs/dbraw/zinc/88/29/18/1080882918.db2.gz QNZFQVBFDGVVEY-VXKWHMMOSA-N 1 3 415.582 2.328 20 0 HEADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1CN1CCCC1)CCC2 ZINC001164815110 720245832 /nfs/dbraw/zinc/24/58/32/720245832.db2.gz AMUTYLXPVKNMMS-UHFFFAOYSA-N 1 3 410.566 2.485 20 0 HEADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1CN1CCCC1)CCC2 ZINC001164815110 720245840 /nfs/dbraw/zinc/24/58/40/720245840.db2.gz AMUTYLXPVKNMMS-UHFFFAOYSA-N 1 3 410.566 2.485 20 0 HEADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164833401 720333996 /nfs/dbraw/zinc/33/39/96/720333996.db2.gz WQFWAYICGMGMKW-RBUKOAKNSA-N 1 3 417.985 2.292 20 0 HEADHO Cn1cc(CN2CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164762490 721179455 /nfs/dbraw/zinc/17/94/55/721179455.db2.gz CJSZNAXGWSNJOI-NHCUHLMSSA-N 1 3 410.566 2.248 20 0 HEADHO CC(C)N1CCN(Cc2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)c(F)c2)CC1 ZINC001168884266 1079068315 /nfs/dbraw/zinc/06/83/15/1079068315.db2.gz UUKISTNHWTZATN-UHFFFAOYSA-N 1 3 409.513 2.453 20 0 HEADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169908596 1079473160 /nfs/dbraw/zinc/47/31/60/1079473160.db2.gz WJWAPJLKMCCYFP-WOJBJXKFSA-N 1 3 401.551 2.077 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)CN(CC3CC3)C(=O)OC(C)(C)C)CC2)CC1 ZINC000742599545 1076855003 /nfs/dbraw/zinc/85/50/03/1076855003.db2.gz NXIFMWYKLRXQGK-UHFFFAOYSA-N 1 3 408.587 2.308 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2)CC1 ZINC000743079261 1076946442 /nfs/dbraw/zinc/94/64/42/1076946442.db2.gz QDAWQMVPBXCDJX-OAQYLSRUSA-N 1 3 403.571 2.403 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCC3CC[NH+](CC)CC3)cc2)CC1 ZINC000743942973 1077237991 /nfs/dbraw/zinc/23/79/91/1077237991.db2.gz PRRFZRBCVJVKHM-UHFFFAOYSA-N 1 3 415.582 2.005 20 0 HEADHO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000766913311 1079504076 /nfs/dbraw/zinc/50/40/76/1079504076.db2.gz JNPYLRACLSCHQE-IERDGZPVSA-N 1 3 406.546 2.496 20 0 HEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363264 1079830418 /nfs/dbraw/zinc/83/04/18/1079830418.db2.gz JARATYHBGGHWJW-RBUKOAKNSA-N 1 3 408.587 2.262 20 0 HEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363264 1079830425 /nfs/dbraw/zinc/83/04/25/1079830425.db2.gz JARATYHBGGHWJW-RBUKOAKNSA-N 1 3 408.587 2.262 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(c4c(F)cccc4F)=NO3)CC2)CC1 ZINC000786028562 1080340702 /nfs/dbraw/zinc/34/07/02/1080340702.db2.gz PEBCYNWRLHWULY-LJQANCHMSA-N 1 3 406.477 2.133 20 0 HEADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787193185 1081057861 /nfs/dbraw/zinc/05/78/61/1081057861.db2.gz PGPSQWKEOVAZDO-UHFFFAOYSA-N 1 3 414.594 2.143 20 0 HEADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncccc1CN1CCCC1)C2 ZINC001164433478 718971757 /nfs/dbraw/zinc/97/17/57/718971757.db2.gz LQBSOVSDKWFSBY-MOPGFXCFSA-N 1 3 412.456 2.199 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819617 720295202 /nfs/dbraw/zinc/29/52/02/720295202.db2.gz FCWSJVAFUCBRGU-UXHICEINSA-N 1 3 412.582 2.297 20 0 HEADHO CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164766071 721187007 /nfs/dbraw/zinc/18/70/07/721187007.db2.gz IWMZGNGEPAWOEQ-DLBZAZTESA-N 1 3 408.506 2.431 20 0 HEADHO C[C@@H](CNC(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)ccn1)N1CCCCC1 ZINC000746146650 1078805833 /nfs/dbraw/zinc/80/58/33/1078805833.db2.gz INZFPVDNGJVXCU-OALUTQOASA-N 1 3 415.582 2.290 20 0 HEADHO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1 ZINC001168838542 1079049983 /nfs/dbraw/zinc/04/99/83/1079049983.db2.gz NYAYIMJVSVTTPJ-UHFFFAOYSA-N 1 3 420.623 2.118 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107415 1079157931 /nfs/dbraw/zinc/15/79/31/1079157931.db2.gz GEFWOUVVUVMMQF-WBDAEOGXSA-N 1 3 406.567 2.468 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107415 1079157941 /nfs/dbraw/zinc/15/79/41/1079157941.db2.gz GEFWOUVVUVMMQF-WBDAEOGXSA-N 1 3 406.567 2.468 20 0 HEADHO CC1(C)C[C@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169142267 1079164467 /nfs/dbraw/zinc/16/44/67/1079164467.db2.gz MEFIKURIHNZOQM-OXJNMPFZSA-N 1 3 409.600 2.119 20 0 HEADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085742 1076041799 /nfs/dbraw/zinc/04/17/99/1076041799.db2.gz IFUUNKXNHMJONR-OAQYLSRUSA-N 1 3 415.582 2.004 20 0 HEADHO COc1ccc(OC)c([C@@H](O)CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000741805022 1076644055 /nfs/dbraw/zinc/64/40/55/1076644055.db2.gz FSHLZVLBSFUOQB-FQEVSTJZSA-N 1 3 421.582 2.153 20 0 HEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000743593169 1077071372 /nfs/dbraw/zinc/07/13/72/1077071372.db2.gz ATNGQUWANOPCTN-BHIFYINESA-N 1 3 400.567 2.403 20 0 HEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000743593169 1077071379 /nfs/dbraw/zinc/07/13/79/1077071379.db2.gz ATNGQUWANOPCTN-BHIFYINESA-N 1 3 400.567 2.403 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819616 720295732 /nfs/dbraw/zinc/29/57/32/720295732.db2.gz FCWSJVAFUCBRGU-PMACEKPBSA-N 1 3 412.582 2.297 20 0 HEADHO NCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757166 720882803 /nfs/dbraw/zinc/88/28/03/720882803.db2.gz TXUTWICDDSGCGI-REWPJTCUSA-N 1 3 408.550 2.085 20 0 HEADHO NCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757166 720882804 /nfs/dbraw/zinc/88/28/04/720882804.db2.gz TXUTWICDDSGCGI-REWPJTCUSA-N 1 3 408.550 2.085 20 0 HEADHO CCOC(=O)c1c[nH]c2cc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]cc21 ZINC001164766077 721188116 /nfs/dbraw/zinc/18/81/16/721188116.db2.gz IWMZGNGEPAWOEQ-IAGOWNOFSA-N 1 3 408.506 2.431 20 0 HEADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898267 721432259 /nfs/dbraw/zinc/43/22/59/721432259.db2.gz VNVRRFZHSMOBSX-LADGPHEKSA-N 1 3 413.610 2.443 20 0 HEADHO C[C@H](CNC(=O)c1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccn1)N1CCCCC1 ZINC000746146657 1078805865 /nfs/dbraw/zinc/80/58/65/1078805865.db2.gz INZFPVDNGJVXCU-RTBURBONSA-N 1 3 415.582 2.290 20 0 HEADHO C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)ccn1)N1CCCCC1 ZINC000746146654 1078805899 /nfs/dbraw/zinc/80/58/99/1078805899.db2.gz INZFPVDNGJVXCU-RBUKOAKNSA-N 1 3 415.582 2.290 20 0 HEADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1CCCC1 ZINC000739070711 1076037347 /nfs/dbraw/zinc/03/73/47/1076037347.db2.gz RRNFCTMWXFBGNF-GOSISDBHSA-N 1 3 415.582 2.004 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000743078175 1076945599 /nfs/dbraw/zinc/94/55/99/1076945599.db2.gz IMVLFXVUQUBMBO-NRFANRHFSA-N 1 3 403.571 2.187 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000743078175 1076945637 /nfs/dbraw/zinc/94/56/37/1076945637.db2.gz IMVLFXVUQUBMBO-NRFANRHFSA-N 1 3 403.571 2.187 20 0 HEADHO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000767330750 1079808128 /nfs/dbraw/zinc/80/81/28/1079808128.db2.gz IJPNBHHDKGREBW-PBHXVAMFSA-N 1 3 401.551 2.209 20 0 HEADHO COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000767330750 1079808129 /nfs/dbraw/zinc/80/81/29/1079808129.db2.gz IJPNBHHDKGREBW-PBHXVAMFSA-N 1 3 401.551 2.209 20 0 HEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363263 1079830394 /nfs/dbraw/zinc/83/03/94/1079830394.db2.gz JARATYHBGGHWJW-OALUTQOASA-N 1 3 408.587 2.262 20 0 HEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363263 1079830399 /nfs/dbraw/zinc/83/03/99/1079830399.db2.gz JARATYHBGGHWJW-OALUTQOASA-N 1 3 408.587 2.262 20 0 HEADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786890255 1080870546 /nfs/dbraw/zinc/87/05/46/1080870546.db2.gz QSWXBZYRFWXOMT-AVRDEDQJSA-N 1 3 423.561 2.156 20 0 HEADHO c1cc(CN2CCOCC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)ccn1 ZINC001164962492 722058216 /nfs/dbraw/zinc/05/82/16/722058216.db2.gz SMFHDELMCAHQGL-UHFFFAOYSA-N 1 3 422.577 2.005 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000745789463 1078645087 /nfs/dbraw/zinc/64/50/87/1078645087.db2.gz LYBOEHOJGGQDJY-UHFFFAOYSA-N 1 3 411.591 2.148 20 0 HEADHO C[C@H]1C[C@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849872 1079061083 /nfs/dbraw/zinc/06/10/83/1079061083.db2.gz MDYDNRKLCYTSPF-HKUYNNGSSA-N 1 3 418.582 2.208 20 0 HEADHO COc1ccc(CN2CC[C@H](N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902417 1079070395 /nfs/dbraw/zinc/07/03/95/1079070395.db2.gz BCKWQQXMQWSGMG-HKUYNNGSSA-N 1 3 420.554 2.366 20 0 HEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CO)Cc3ccccc3OC)CC2)CC1 ZINC001169091698 1079139275 /nfs/dbraw/zinc/13/92/75/1079139275.db2.gz BEUXSAMJQWVWJL-DEOSSOPVSA-N 1 3 417.594 2.301 20 0 HEADHO CC(C)(C)OC(=O)N1C[C@@H](NCc2ccccc2C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170028823 1079385421 /nfs/dbraw/zinc/38/54/21/1079385421.db2.gz DUXCQFIRPSBSHR-ROUUACIJSA-N 1 3 420.579 2.146 20 0 HEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000743593170 1077071337 /nfs/dbraw/zinc/07/13/37/1077071337.db2.gz ATNGQUWANOPCTN-FSSWDIPSSA-N 1 3 400.567 2.403 20 0 HEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000743593170 1077071343 /nfs/dbraw/zinc/07/13/43/1077071343.db2.gz ATNGQUWANOPCTN-FSSWDIPSSA-N 1 3 400.567 2.403 20 0 HEADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)N3CCCCC3)c2)CC1 ZINC000768037054 1080279470 /nfs/dbraw/zinc/27/94/70/1080279470.db2.gz QJQYSKBYBCWAQU-LJQANCHMSA-N 1 3 415.582 2.146 20 0 HEADHO CC[N@H+](CCCN(C)C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054318 1080367194 /nfs/dbraw/zinc/36/71/94/1080367194.db2.gz FMIVBZQRLRGNOJ-SJORKVTESA-N 1 3 414.616 2.171 20 0 HEADHO CC[N@@H+](CCCN(C)C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054318 1080367199 /nfs/dbraw/zinc/36/71/99/1080367199.db2.gz FMIVBZQRLRGNOJ-SJORKVTESA-N 1 3 414.616 2.171 20 0 HEADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000768718153 1080733085 /nfs/dbraw/zinc/73/30/85/1080733085.db2.gz WAIIJJRUGKRMMO-IBGZPJMESA-N 1 3 416.566 2.480 20 0 HEADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000768718155 1080733260 /nfs/dbraw/zinc/73/32/60/1080733260.db2.gz WAIIJJRUGKRMMO-LJQANCHMSA-N 1 3 416.566 2.480 20 0 HEADHO C[C@@H]1CCCN1C(=O)c1nn(-c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1CNCC2 ZINC001164851977 720806330 /nfs/dbraw/zinc/80/63/30/720806330.db2.gz MDBBTIMQMCAWBX-MRXNPFEDSA-N 1 3 424.549 2.011 20 0 HEADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898273 721433171 /nfs/dbraw/zinc/43/31/71/721433171.db2.gz VNVRRFZHSMOBSX-VWNXMTODSA-N 1 3 413.610 2.443 20 0 HEADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164911029 721555367 /nfs/dbraw/zinc/55/53/67/721555367.db2.gz YCJXIHUWDQHFML-YLJYHZDGSA-N 1 3 413.497 2.088 20 0 HEADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605605 1079343109 /nfs/dbraw/zinc/34/31/09/1079343109.db2.gz LCQWWGWHGFZKCI-FCHUYYIVSA-N 1 3 400.567 2.395 20 0 HEADHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000743919307 1077241335 /nfs/dbraw/zinc/24/13/35/1077241335.db2.gz FLUPDQXQRXXBSO-UHFFFAOYSA-N 1 3 415.582 2.148 20 0 HEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363261 1079830344 /nfs/dbraw/zinc/83/03/44/1079830344.db2.gz JARATYHBGGHWJW-MOPGFXCFSA-N 1 3 408.587 2.262 20 0 HEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363261 1079830351 /nfs/dbraw/zinc/83/03/51/1079830351.db2.gz JARATYHBGGHWJW-MOPGFXCFSA-N 1 3 408.587 2.262 20 0 HEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000787142562 1081026146 /nfs/dbraw/zinc/02/61/46/1081026146.db2.gz BBNGIOCFLIQWGK-LJQANCHMSA-N 1 3 400.567 2.066 20 0 HEADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164766723 721241774 /nfs/dbraw/zinc/24/17/74/721241774.db2.gz VIGCHDIDCLBXEV-RTWAWAEBSA-N 1 3 410.566 2.152 20 0 HEADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898265 721432729 /nfs/dbraw/zinc/43/27/29/721432729.db2.gz VNVRRFZHSMOBSX-ISKFKSNPSA-N 1 3 413.610 2.443 20 0 HEADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000746258540 1078834806 /nfs/dbraw/zinc/83/48/06/1078834806.db2.gz LYTVRRTVIRDTIH-HSZRJFAPSA-N 1 3 414.594 2.267 20 0 HEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741807034 1076633855 /nfs/dbraw/zinc/63/38/55/1076633855.db2.gz UBLMQGIDKIBBGK-HXUWFJFHSA-N 1 3 416.566 2.428 20 0 HEADHO COC(=O)/C=C1\SCC(=O)N1CCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744426064 1077388488 /nfs/dbraw/zinc/38/84/88/1077388488.db2.gz OGMIGWVZYXXNRA-UOIFGXKSSA-N 1 3 417.575 2.420 20 0 HEADHO COC(=O)/C=C1\SCC(=O)N1CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000744426064 1077388497 /nfs/dbraw/zinc/38/84/97/1077388497.db2.gz OGMIGWVZYXXNRA-UOIFGXKSSA-N 1 3 417.575 2.420 20 0 HEADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000767690561 1080041914 /nfs/dbraw/zinc/04/19/14/1080041914.db2.gz RDMSFONNRLWVJH-FCHUYYIVSA-N 1 3 416.635 2.493 20 0 HEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(O)(c4ccccc4)CC3)CC2)CC1 ZINC000768312229 1080482448 /nfs/dbraw/zinc/48/24/48/1080482448.db2.gz VKEUNBIKTDQFJC-UHFFFAOYSA-N 1 3 400.567 2.238 20 0 HEADHO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(CN)ncn3)CC2)c2ccccc21 ZINC001164683523 719663672 /nfs/dbraw/zinc/66/36/72/719663672.db2.gz VSEVZINIXCINQA-SFHVURJKSA-N 1 3 422.577 2.029 20 0 HEADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164833402 720333810 /nfs/dbraw/zinc/33/38/10/720333810.db2.gz WQFWAYICGMGMKW-RTBURBONSA-N 1 3 417.985 2.292 20 0 HEADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164833399 720333960 /nfs/dbraw/zinc/33/39/60/720333960.db2.gz WQFWAYICGMGMKW-MOPGFXCFSA-N 1 3 417.985 2.292 20 0 HEADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1 ZINC001164866787 721188667 /nfs/dbraw/zinc/18/86/67/721188667.db2.gz DBRKKFBHWHIMKI-FYYLOGMGSA-N 1 3 423.561 2.335 20 0 HEADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164766729 721241709 /nfs/dbraw/zinc/24/17/09/721241709.db2.gz VIGCHDIDCLBXEV-SFTDATJTSA-N 1 3 410.566 2.152 20 0 HEADHO COc1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000766457554 1079010753 /nfs/dbraw/zinc/01/07/53/1079010753.db2.gz KXIVARNTJGPTTF-CQSZACIVSA-N 1 3 419.538 2.368 20 0 HEADHO C[C@H]1C[C@@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849875 1079061525 /nfs/dbraw/zinc/06/15/25/1079061525.db2.gz MDYDNRKLCYTSPF-PKOBYXMFSA-N 1 3 418.582 2.208 20 0 HEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894482 1079063947 /nfs/dbraw/zinc/06/39/47/1079063947.db2.gz QWMCOTBYFZAFNB-OFNKIYASSA-N 1 3 424.630 2.360 20 0 HEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001168894482 1079063957 /nfs/dbraw/zinc/06/39/57/1079063957.db2.gz QWMCOTBYFZAFNB-OFNKIYASSA-N 1 3 424.630 2.360 20 0 HEADHO CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563188 1079332047 /nfs/dbraw/zinc/33/20/47/1079332047.db2.gz VLZWRUUYOSCNNS-DLBZAZTESA-N 1 3 403.571 2.434 20 0 HEADHO CCOC(=O)N1CCC[C@@H](N2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001169695176 1079375798 /nfs/dbraw/zinc/37/57/98/1079375798.db2.gz UINMRMDXZLTQEG-GOSISDBHSA-N 1 3 407.559 2.178 20 0 HEADHO CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170028822 1079385520 /nfs/dbraw/zinc/38/55/20/1079385520.db2.gz DUXCQFIRPSBSHR-MSOLQXFVSA-N 1 3 420.579 2.146 20 0 HEADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743979645 1077292511 /nfs/dbraw/zinc/29/25/11/1077292511.db2.gz HXFWKBIFGMMPAM-GOSISDBHSA-N 1 3 415.582 2.004 20 0 HEADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000767690564 1080041694 /nfs/dbraw/zinc/04/16/94/1080041694.db2.gz RDMSFONNRLWVJH-FGZHOGPDSA-N 1 3 416.635 2.493 20 0 HEADHO C[C@H]1[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175677 1080479515 /nfs/dbraw/zinc/47/95/15/1080479515.db2.gz UAMWIBLZSOVKBA-LPHOPBHVSA-N 1 3 408.587 2.307 20 0 HEADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769156137 1080975315 /nfs/dbraw/zinc/97/53/15/1080975315.db2.gz PZRCUYDZWVMGKA-FGZHOGPDSA-N 1 3 402.583 2.180 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743462 720813363 /nfs/dbraw/zinc/81/33/63/720813363.db2.gz GCECZVJZXUYKSV-PWRODBHTSA-N 1 3 422.581 2.356 20 0 HEADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743462 720813365 /nfs/dbraw/zinc/81/33/65/720813365.db2.gz GCECZVJZXUYKSV-PWRODBHTSA-N 1 3 422.581 2.356 20 0 HEADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879546 721177573 /nfs/dbraw/zinc/17/75/73/721177573.db2.gz TYXWDZQTWBKKRV-NFBKMPQASA-N 1 3 423.561 2.429 20 0 HEADHO Cn1cc(CN2CC[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164762487 721179424 /nfs/dbraw/zinc/17/94/24/721179424.db2.gz CJSZNAXGWSNJOI-LEWJYISDSA-N 1 3 410.566 2.248 20 0 HEADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164911023 721555377 /nfs/dbraw/zinc/55/53/77/721555377.db2.gz YCJXIHUWDQHFML-FXAWDEMLSA-N 1 3 413.497 2.088 20 0 HEADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770026194 1078694099 /nfs/dbraw/zinc/69/40/99/1078694099.db2.gz IORFXDDGHHIASU-LJQANCHMSA-N 1 3 400.567 2.500 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099468 1078794256 /nfs/dbraw/zinc/79/42/56/1078794256.db2.gz UVEFDNKSJDIEJE-DEOSSOPVSA-N 1 3 408.546 2.404 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099468 1078794271 /nfs/dbraw/zinc/79/42/71/1078794271.db2.gz UVEFDNKSJDIEJE-DEOSSOPVSA-N 1 3 408.546 2.404 20 0 HEADHO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169133791 1079152647 /nfs/dbraw/zinc/15/26/47/1079152647.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 1 3 409.534 2.295 20 0 HEADHO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169133791 1079152651 /nfs/dbraw/zinc/15/26/51/1079152651.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 1 3 409.534 2.295 20 0 HEADHO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169133790 1079152790 /nfs/dbraw/zinc/15/27/90/1079152790.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 1 3 409.534 2.295 20 0 HEADHO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169133790 1079152791 /nfs/dbraw/zinc/15/27/91/1079152791.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 1 3 409.534 2.295 20 0 HEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107414 1079157239 /nfs/dbraw/zinc/15/72/39/1079157239.db2.gz GEFWOUVVUVMMQF-NUNAXRQHSA-N 1 3 406.567 2.468 20 0 HEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107414 1079157241 /nfs/dbraw/zinc/15/72/41/1079157241.db2.gz GEFWOUVVUVMMQF-NUNAXRQHSA-N 1 3 406.567 2.468 20 0 HEADHO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(CN)ncn3)CC2)c2ccccc21 ZINC001164683514 719663884 /nfs/dbraw/zinc/66/38/84/719663884.db2.gz VSEVZINIXCINQA-GOSISDBHSA-N 1 3 422.577 2.029 20 0 HEADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164710377 720127957 /nfs/dbraw/zinc/12/79/57/720127957.db2.gz ABVZIHVQXXHEPE-HXUWFJFHSA-N 1 3 408.550 2.025 20 0 HEADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164710377 720127963 /nfs/dbraw/zinc/12/79/63/720127963.db2.gz ABVZIHVQXXHEPE-HXUWFJFHSA-N 1 3 408.550 2.025 20 0 HEADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164833400 720334171 /nfs/dbraw/zinc/33/41/71/720334171.db2.gz WQFWAYICGMGMKW-OALUTQOASA-N 1 3 417.985 2.292 20 0 HEADHO NCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757165 720882958 /nfs/dbraw/zinc/88/29/58/720882958.db2.gz TXUTWICDDSGCGI-OFNKIYASSA-N 1 3 408.550 2.085 20 0 HEADHO NCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757165 720882960 /nfs/dbraw/zinc/88/29/60/720882960.db2.gz TXUTWICDDSGCGI-OFNKIYASSA-N 1 3 408.550 2.085 20 0 HEADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1 ZINC001164866788 721188390 /nfs/dbraw/zinc/18/83/90/721188390.db2.gz DBRKKFBHWHIMKI-GGAORHGYSA-N 1 3 423.561 2.335 20 0 HEADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164911027 721555332 /nfs/dbraw/zinc/55/53/32/721555332.db2.gz YCJXIHUWDQHFML-XLIONFOSSA-N 1 3 413.497 2.088 20 0 HEADHO CC1(C)C[C@@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169142271 1079164705 /nfs/dbraw/zinc/16/47/05/1079164705.db2.gz MEFIKURIHNZOQM-UZLBHIALSA-N 1 3 409.600 2.119 20 0 HEADHO CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563189 1079332107 /nfs/dbraw/zinc/33/21/07/1079332107.db2.gz VLZWRUUYOSCNNS-IAGOWNOFSA-N 1 3 403.571 2.434 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000743078185 1076945475 /nfs/dbraw/zinc/94/54/75/1076945475.db2.gz IMVLFXVUQUBMBO-OAQYLSRUSA-N 1 3 403.571 2.187 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000743078185 1076945483 /nfs/dbraw/zinc/94/54/83/1076945483.db2.gz IMVLFXVUQUBMBO-OAQYLSRUSA-N 1 3 403.571 2.187 20 0 HEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000743593171 1077073834 /nfs/dbraw/zinc/07/38/34/1077073834.db2.gz ATNGQUWANOPCTN-VSKRKVRLSA-N 1 3 400.567 2.403 20 0 HEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000743593171 1077073842 /nfs/dbraw/zinc/07/38/42/1077073842.db2.gz ATNGQUWANOPCTN-VSKRKVRLSA-N 1 3 400.567 2.403 20 0 HEADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCN3C2)c1 ZINC001164866790 721189292 /nfs/dbraw/zinc/18/92/92/721189292.db2.gz DBRKKFBHWHIMKI-JTHBVZDNSA-N 1 3 423.561 2.335 20 0 HEADHO FC1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906631 721713580 /nfs/dbraw/zinc/71/35/80/721713580.db2.gz NJIJVFJSOIYSTG-HXUWFJFHSA-N 1 3 400.477 2.255 20 0 HEADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001168893851 1079063447 /nfs/dbraw/zinc/06/34/47/1079063447.db2.gz MQIZILWTTMQOHV-DETIRCLXSA-N 1 3 424.630 2.237 20 0 HEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001168893851 1079063453 /nfs/dbraw/zinc/06/34/53/1079063453.db2.gz MQIZILWTTMQOHV-DETIRCLXSA-N 1 3 424.630 2.237 20 0 HEADHO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000766913315 1079504208 /nfs/dbraw/zinc/50/42/08/1079504208.db2.gz JNPYLRACLSCHQE-KKSFZXQISA-N 1 3 406.546 2.496 20 0 HEADHO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000767330749 1079808143 /nfs/dbraw/zinc/80/81/43/1079808143.db2.gz IJPNBHHDKGREBW-HUOGQDQXSA-N 1 3 401.551 2.209 20 0 HEADHO COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000767330749 1079808147 /nfs/dbraw/zinc/80/81/47/1079808147.db2.gz IJPNBHHDKGREBW-HUOGQDQXSA-N 1 3 401.551 2.209 20 0 HEADHO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)N1CCCCC1 ZINC000785579917 1080085149 /nfs/dbraw/zinc/08/51/49/1080085149.db2.gz JFRPBAVCDZCBTH-IBGZPJMESA-N 1 3 400.567 2.279 20 0 HEADHO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)N1CCCCC1 ZINC000785579919 1080085172 /nfs/dbraw/zinc/08/51/72/1080085172.db2.gz JFRPBAVCDZCBTH-LJQANCHMSA-N 1 3 400.567 2.279 20 0 HEADHO C[C@H]1[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000786175678 1080479991 /nfs/dbraw/zinc/47/99/91/1080479991.db2.gz UAMWIBLZSOVKBA-QFBILLFUSA-N 1 3 408.587 2.307 20 0 HEADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000768957522 1080882979 /nfs/dbraw/zinc/88/29/79/1080882979.db2.gz QNZFQVBFDGVVEY-FCHUYYIVSA-N 1 3 415.582 2.328 20 0 HEADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(CN(C)C3CC3)cn1)CCC2 ZINC001164814503 720240863 /nfs/dbraw/zinc/24/08/63/720240863.db2.gz VZOPIVQMMKXNFJ-UHFFFAOYSA-N 1 3 410.566 2.483 20 0 HEADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(CN(C)C3CC3)cn1)CCC2 ZINC001164814503 720240865 /nfs/dbraw/zinc/24/08/65/720240865.db2.gz VZOPIVQMMKXNFJ-UHFFFAOYSA-N 1 3 410.566 2.483 20 0 HEADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896762 721439586 /nfs/dbraw/zinc/43/95/86/721439586.db2.gz RZBLRZMJTJAQDQ-ISKFKSNPSA-N 1 3 413.610 2.441 20 0 HEADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896762 721439589 /nfs/dbraw/zinc/43/95/89/721439589.db2.gz RZBLRZMJTJAQDQ-ISKFKSNPSA-N 1 3 413.610 2.441 20 0 HEADHO CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164808867 721565289 /nfs/dbraw/zinc/56/52/89/721565289.db2.gz WBINLRIYAUZEGI-HFMPRLQTSA-N 1 3 422.577 2.097 20 0 HEADHO