smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)c1O ZINC000011911065 558296917 /nfs/dbraw/zinc/29/69/17/558296917.db2.gz VSDUJVNTOUBEJE-FQEVSTJZSA-N 1 0 415.538 2.664 50 10 HFCARO CCOc1cccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1O ZINC000014879915 558675778 /nfs/dbraw/zinc/67/57/78/558675778.db2.gz NVRDWFZHKXBRBK-ICSRJNTNSA-N 1 0 418.534 2.600 50 10 HFCARO COc1ccc(N2CCN([C@H]3CCCN(C(=O)C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000055245571 558877336 /nfs/dbraw/zinc/87/73/36/558877336.db2.gz DWMVYBVUQBKSTF-QFIPXVFZSA-N 1 0 414.594 2.684 50 10 HFCARO CCc1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000023224708 559062739 /nfs/dbraw/zinc/06/27/39/559062739.db2.gz VMAMOJAPGXUFQI-JOCHJYFZSA-N 1 0 414.546 2.836 50 10 HFCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)[NH+](C)C)ccc21 ZINC000008798872 560638669 /nfs/dbraw/zinc/63/86/69/560638669.db2.gz TYBZDNVVSNHVDL-IBGZPJMESA-N 1 0 409.502 2.928 50 10 HFCARO COc1ccc(N2CC[NH+](CC[C@H]3Oc4ccc([N+](=O)[O-])cc4NC3=O)CC2)cc1 ZINC000001399541 568926004 /nfs/dbraw/zinc/92/60/04/568926004.db2.gz WOURLHRFNVFMPF-HXUWFJFHSA-N 1 0 412.446 2.515 50 10 HFCARO COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000035597259 569045698 /nfs/dbraw/zinc/04/56/98/569045698.db2.gz UOQCBZWADGJFKU-QFIPXVFZSA-N 1 0 423.561 2.798 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCCC3)ccc21 ZINC000013007899 569406811 /nfs/dbraw/zinc/40/68/11/569406811.db2.gz OUJDBKZKTLHHTI-JOCHJYFZSA-N 1 0 412.578 2.771 50 10 HFCARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008681 569406956 /nfs/dbraw/zinc/40/69/56/569406956.db2.gz CLLSGVNYTPZZDL-JOCHJYFZSA-N 1 0 408.546 2.989 50 10 HFCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000013008567 569406999 /nfs/dbraw/zinc/40/69/99/569406999.db2.gz PUYHTUUHHXMYOP-NRFANRHFSA-N 1 0 424.545 2.744 50 10 HFCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008963973 571190515 /nfs/dbraw/zinc/19/05/15/571190515.db2.gz ZFVZZBOBWBNEBV-FQEVSTJZSA-N 1 0 414.937 2.998 50 10 HFCARO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964185 571191117 /nfs/dbraw/zinc/19/11/17/571191117.db2.gz OQGFHOVQCDNOCI-QFIPXVFZSA-N 1 0 406.530 2.879 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)NCc3cccs3)N3CC[NH+](C)CC3)ccc21 ZINC000036705430 523999431 /nfs/dbraw/zinc/99/94/31/523999431.db2.gz YPJWFRNFBAZMCL-NRFANRHFSA-N 1 0 413.591 2.528 50 10 HFCARO CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022733754 557807617 /nfs/dbraw/zinc/80/76/17/557807617.db2.gz NFCJSLCLVFMXNH-XMMPIXPASA-N 1 0 422.573 2.796 50 10 HFCARO CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022733757 557807639 /nfs/dbraw/zinc/80/76/39/557807639.db2.gz NFCJSLCLVFMXNH-DEOSSOPVSA-N 1 0 422.573 2.796 50 10 HFCARO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1 ZINC000020994346 558426414 /nfs/dbraw/zinc/42/64/14/558426414.db2.gz USPZOFLTFIERSO-FQEVSTJZSA-N 1 0 400.519 2.787 50 10 HFCARO O=S(=O)(Nc1cccc(N2CCC([NH2+][C@H]3CCOC3)CC2)c1)c1ccc(F)cc1 ZINC000015002946 558698328 /nfs/dbraw/zinc/69/83/28/558698328.db2.gz KKQUKLSAHDEEDK-IBGZPJMESA-N 1 0 419.522 2.974 50 10 HFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)/C=C/c4ccncc4)C3)CC2)cc1 ZINC000067909851 558994782 /nfs/dbraw/zinc/99/47/82/558994782.db2.gz HRZHBEAEYWVXOG-DGOUCMFKSA-N 1 0 406.530 2.917 50 10 HFCARO COc1ccc(N2CC[NH+](Cc3c([O-])c(C[NH+]4CCCCC4)coc3=O)CC2)cc1 ZINC000218539645 568481522 /nfs/dbraw/zinc/48/15/22/568481522.db2.gz AXMYKYFKSXDYQR-UHFFFAOYSA-N 1 0 413.518 2.662 50 10 HFCARO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000008427932 569002213 /nfs/dbraw/zinc/00/22/13/569002213.db2.gz SEZGJOYTJPJMCR-UHFFFAOYSA-N 1 0 404.507 2.917 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)[NH+](C)C)ccc21 ZINC000013008623 569406960 /nfs/dbraw/zinc/40/69/60/569406960.db2.gz LTYOGFZHNFKTGT-HXUWFJFHSA-N 1 0 416.472 2.705 50 10 HFCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000008798831 571120536 /nfs/dbraw/zinc/12/05/36/571120536.db2.gz KZPOXEKQZXISCI-OAQYLSRUSA-N 1 0 403.548 2.659 50 10 HFCARO CCOc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@@H]2CCO)cc1 ZINC000020271245 558352855 /nfs/dbraw/zinc/35/28/55/558352855.db2.gz HMOSTZUVQPYMHZ-FQEVSTJZSA-N 1 0 400.519 2.868 50 10 HFCARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(OC)cc2O)C[C@@H]1CCO ZINC000023373012 558553320 /nfs/dbraw/zinc/55/33/20/558553320.db2.gz BMTIUXBXPVRKNW-FQEVSTJZSA-N 1 0 400.519 2.868 50 10 HFCARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005340645 560567713 /nfs/dbraw/zinc/56/77/13/560567713.db2.gz UEVDVBYHWGZWRD-JOCHJYFZSA-N 1 0 408.546 2.631 50 10 HFCARO COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000035597253 569045717 /nfs/dbraw/zinc/04/57/17/569045717.db2.gz LCRUJDYGEYGYQA-QHCPKHFHSA-N 1 0 423.561 2.798 50 10 HFCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000008800954 571120492 /nfs/dbraw/zinc/12/04/92/571120492.db2.gz KURQLLHCQITFAO-OAQYLSRUSA-N 1 0 403.523 2.933 50 10 HFCARO CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1 ZINC000008963884 571190584 /nfs/dbraw/zinc/19/05/84/571190584.db2.gz YAKOQWZXMCQHPS-FQEVSTJZSA-N 1 0 412.559 2.758 50 10 HFCARO O=C(NCc1ccccc1)c1coc(CN2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000034678004 557365531 /nfs/dbraw/zinc/36/55/31/557365531.db2.gz LZEMCHNGUPRZBW-UHFFFAOYSA-N 1 0 406.486 2.628 50 10 HFCARO Cc1ccccc1N1C(=O)C(=CNCC[NH+](C)C)C(=O)N(c2ccccc2)C1=S ZINC000020390833 558359132 /nfs/dbraw/zinc/35/91/32/558359132.db2.gz RQNASZPTOCHSSO-OBGWFSINSA-N 1 0 408.527 2.695 50 10 HFCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)[NH+](C)C)ccc21 ZINC000008798870 560638690 /nfs/dbraw/zinc/63/86/90/560638690.db2.gz TYBZDNVVSNHVDL-LJQANCHMSA-N 1 0 409.502 2.928 50 10 HFCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccccc3F)[NH+]3CCCC3)ccc21 ZINC000008800948 571120390 /nfs/dbraw/zinc/12/03/90/571120390.db2.gz UQSSKXBCDAYVHF-HXUWFJFHSA-N 1 0 403.523 2.933 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)[NH+](C)C)ccc21 ZINC000008963912 571190396 /nfs/dbraw/zinc/19/03/96/571190396.db2.gz QIGCLSMSYKAVAK-IBGZPJMESA-N 1 0 418.900 2.829 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+]3CCCC3)ccc21 ZINC000008964131 571190897 /nfs/dbraw/zinc/19/08/97/571190897.db2.gz GTOPPTKPSZJHLZ-JOCHJYFZSA-N 1 0 412.578 2.771 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000008611033 536696542 /nfs/dbraw/zinc/69/65/42/536696542.db2.gz DUHNRTYFGFKJOF-FQEVSTJZSA-N 1 0 409.530 2.575 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004791762 536697109 /nfs/dbraw/zinc/69/71/09/536697109.db2.gz WWQCARGDUVMLRF-UHFFFAOYSA-N 1 0 413.478 2.937 50 10 HFCARO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022589171 568770893 /nfs/dbraw/zinc/77/08/93/568770893.db2.gz UHAJLTAQXFVYDD-HXUWFJFHSA-N 1 0 402.489 2.749 50 10 HFCARO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1 ZINC000104401130 569008416 /nfs/dbraw/zinc/00/84/16/569008416.db2.gz USPZOFLTFIERSO-HXUWFJFHSA-N 1 0 400.519 2.787 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)Nc3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000035597248 569045744 /nfs/dbraw/zinc/04/57/44/569045744.db2.gz MYMJCNGKUWIZJJ-JOCHJYFZSA-N 1 0 411.525 2.928 50 10 HFCARO CCC(=O)N1CCc2c1cccc2C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065209944 569196507 /nfs/dbraw/zinc/19/65/07/569196507.db2.gz NEOLXEADMMLEAW-UHFFFAOYSA-N 1 0 406.530 2.668 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCCC3)ccc21 ZINC000013007900 569406892 /nfs/dbraw/zinc/40/68/92/569406892.db2.gz OUJDBKZKTLHHTI-QFIPXVFZSA-N 1 0 412.578 2.771 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000008964109 571190626 /nfs/dbraw/zinc/19/06/26/571190626.db2.gz CGTSHYYVZCFWRA-OAQYLSRUSA-N 1 0 410.493 2.710 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)[NH+]3CCCC3)ccc21 ZINC000008964096 571190716 /nfs/dbraw/zinc/19/07/16/571190716.db2.gz VJOCSELXIHGFAF-QHCPKHFHSA-N 1 0 424.589 2.939 50 10 HFCARO C[N+](C)(C)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000006129694 132309442 /nfs/dbraw/zinc/30/94/42/132309442.db2.gz KGFRMPSKUIDVFK-UHFFFAOYSA-O 1 0 409.535 2.531 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCC3)ccc21 ZINC000009135519 132336245 /nfs/dbraw/zinc/33/62/45/132336245.db2.gz VSJJYBHHAKFUOG-JOCHJYFZSA-N 1 0 412.578 2.771 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000009135484 132336269 /nfs/dbraw/zinc/33/62/69/132336269.db2.gz UBBSVZVRULSEAE-HSZRJFAPSA-N 1 0 420.557 2.639 50 10 HFCARO COc1ccc(N2CC[NH+](CCNc3nc4ccccc4n4c(C)nnc34)CC2)cc1 ZINC000006781846 536697644 /nfs/dbraw/zinc/69/76/44/536697644.db2.gz ALYUKNCTQGOWQL-UHFFFAOYSA-N 1 0 417.517 2.829 50 10 HFCARO COc1ccc(N2CC[NH+](CC[C@H]3Oc4cc([N+](=O)[O-])ccc4NC3=O)CC2)cc1 ZINC000004053874 536698479 /nfs/dbraw/zinc/69/84/79/536698479.db2.gz QEXFPEMHAAJAIU-LJQANCHMSA-N 1 0 412.446 2.515 50 10 HFCARO O=C1C(=CNCC2CC[NH2+]CC2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000019771002 558279828 /nfs/dbraw/zinc/27/98/28/558279828.db2.gz KKADUUWMDXHPML-HKWRFOASSA-N 1 0 405.458 2.819 50 10 HFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000005098988 559244653 /nfs/dbraw/zinc/24/46/53/559244653.db2.gz NAILFXZFIAVITI-FQEVSTJZSA-N 1 0 418.519 2.776 50 10 HFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)[NH+]2CCCC2)cc1 ZINC000005341012 560567775 /nfs/dbraw/zinc/56/77/75/560567775.db2.gz MXTNYNKVYCFFPS-HXUWFJFHSA-N 1 0 416.472 2.923 50 10 HFCARO CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022589165 568771044 /nfs/dbraw/zinc/77/10/44/568771044.db2.gz UHAJLTAQXFVYDD-FQEVSTJZSA-N 1 0 402.489 2.749 50 10 HFCARO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589381 568771298 /nfs/dbraw/zinc/77/12/98/568771298.db2.gz ZMKKHNQAQQXTEB-JOCHJYFZSA-N 1 0 410.562 2.545 50 10 HFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1F ZINC000013008651 569407041 /nfs/dbraw/zinc/40/70/41/569407041.db2.gz YFTAOWDRLAOWQK-NRFANRHFSA-N 1 0 412.509 2.874 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNc3[nH]c(=S)nc4ccccc43)CC2)cc1 ZINC000575615408 571309085 /nfs/dbraw/zinc/30/90/85/571309085.db2.gz HFAWRFWUZGNBAF-UHFFFAOYSA-N 1 0 409.559 3.551 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000009135661 536397746 /nfs/dbraw/zinc/39/77/46/536397746.db2.gz GZUJBGJPXAEVKT-QFIPXVFZSA-N 1 0 406.530 2.961 50 10 HFCARO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000004330729 558262580 /nfs/dbraw/zinc/26/25/80/558262580.db2.gz LVEXXZRZYXNPLF-AVRDEDQJSA-N 1 0 408.546 2.883 50 10 HFCARO CS(=O)(=O)NC1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000012942972 569028688 /nfs/dbraw/zinc/02/86/88/569028688.db2.gz FNGVTHWZQJJJJJ-UHFFFAOYSA-N 1 0 413.337 2.822 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)[NH+](C)C)ccc21 ZINC000008963911 571190363 /nfs/dbraw/zinc/19/03/63/571190363.db2.gz QIGCLSMSYKAVAK-LJQANCHMSA-N 1 0 418.900 2.829 50 10 HFCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008963974 571190436 /nfs/dbraw/zinc/19/04/36/571190436.db2.gz ZFVZZBOBWBNEBV-HXUWFJFHSA-N 1 0 414.937 2.998 50 10 HFCARO CCC[NH+]1CCN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737958 534932243 /nfs/dbraw/zinc/93/22/43/534932243.db2.gz MMQYDFJUYLAVHV-UHFFFAOYSA-N 1 0 406.486 2.975 50 10 HFCARO C[NH+]1CCN(N/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 ZINC000005034153 557628461 /nfs/dbraw/zinc/62/84/61/557628461.db2.gz JNFYFZAXIFVYMM-ICFOKQHNSA-N 1 0 418.526 2.683 50 10 HFCARO COc1ccc([C@@]2(O)C[N+](c3cc(OC)ccc3OC)=C3SCCCN32)cc1 ZINC000002965869 557777405 /nfs/dbraw/zinc/77/74/05/557777405.db2.gz FIXGJEQVHPCWNQ-NRFANRHFSA-N 1 0 401.508 2.883 50 10 HFCARO COc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000067602168 558987888 /nfs/dbraw/zinc/98/78/88/558987888.db2.gz SKBNNZYNMCYNPC-UHFFFAOYSA-N 1 0 409.939 2.579 50 10 HFCARO COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000035597260 569045676 /nfs/dbraw/zinc/04/56/76/569045676.db2.gz UOQCBZWADGJFKU-JOCHJYFZSA-N 1 0 423.561 2.798 50 10 HFCARO COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000035597254 569045682 /nfs/dbraw/zinc/04/56/82/569045682.db2.gz LCRUJDYGEYGYQA-HSZRJFAPSA-N 1 0 423.561 2.798 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013007854 569406763 /nfs/dbraw/zinc/40/67/63/569406763.db2.gz IGCJYHSHHZKRTA-QHCPKHFHSA-N 1 0 420.557 2.639 50 10 HFCARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964186 571190982 /nfs/dbraw/zinc/19/09/82/571190982.db2.gz OQGFHOVQCDNOCI-JOCHJYFZSA-N 1 0 406.530 2.879 50 10 HFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330491 558262347 /nfs/dbraw/zinc/26/23/47/558262347.db2.gz CMTSXJMGOXKHTO-OAQYLSRUSA-N 1 0 410.518 2.653 50 10 HFCARO CCOc1cccc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1O ZINC000014879916 558675686 /nfs/dbraw/zinc/67/56/86/558675686.db2.gz NVRDWFZHKXBRBK-QUCCMNQESA-N 1 0 418.534 2.600 50 10 HFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c1O ZINC000014968010 558686405 /nfs/dbraw/zinc/68/64/05/558686405.db2.gz XBYCILXGEYLACN-GOSISDBHSA-N 1 0 415.538 2.664 50 10 HFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)c1O ZINC000039485840 558821689 /nfs/dbraw/zinc/82/16/89/558821689.db2.gz SQRDJBNJUJWPJE-HXUWFJFHSA-N 1 0 400.519 2.868 50 10 HFCARO O=C1C(=CNCC2CC[NH2+]CC2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000100478135 559207841 /nfs/dbraw/zinc/20/78/41/559207841.db2.gz KKADUUWMDXHPML-HMMYKYKNSA-N 1 0 405.458 2.819 50 10 HFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1F ZINC000013008652 569406936 /nfs/dbraw/zinc/40/69/36/569406936.db2.gz YFTAOWDRLAOWQK-OAQYLSRUSA-N 1 0 412.509 2.874 50 10 HFCARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008683 569407006 /nfs/dbraw/zinc/40/70/06/569407006.db2.gz CLLSGVNYTPZZDL-QFIPXVFZSA-N 1 0 408.546 2.989 50 10 HFCARO Cc1cc(C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000040121316 571177213 /nfs/dbraw/zinc/17/72/13/571177213.db2.gz UFCBRXMCRSAGSO-UHFFFAOYSA-N 1 0 400.498 2.550 50 10 HFCARO COC(=O)Cc1c(C)c2ccc([O-])c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c2oc1=O ZINC000009305580 571246557 /nfs/dbraw/zinc/24/65/57/571246557.db2.gz SANUAVIPBDZNIR-UHFFFAOYSA-N 1 0 416.518 2.921 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCC3)[NH+]3CCCCC3)ccc21 ZINC000009138035 536397360 /nfs/dbraw/zinc/39/73/60/536397360.db2.gz VLNADFDRPJVKNW-QFIPXVFZSA-N 1 0 412.578 2.771 50 10 HFCARO COc1ccc(N2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000012540595 536679165 /nfs/dbraw/zinc/67/91/65/536679165.db2.gz GSGCAKRKTHOBQA-UHFFFAOYSA-N 1 0 408.546 2.556 50 10 HFCARO C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000002986501 557436861 /nfs/dbraw/zinc/43/68/61/557436861.db2.gz SRRSAFVDSYPURU-WJDWOHSUSA-N 1 0 422.528 2.502 50 10 HFCARO Oc1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998525 558427541 /nfs/dbraw/zinc/42/75/41/558427541.db2.gz RDZWGTGTUFYKHN-OAQYLSRUSA-N 1 0 409.530 2.903 50 10 HFCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098962 559244649 /nfs/dbraw/zinc/24/46/49/559244649.db2.gz RBIPXEAKCSHJDA-NRFANRHFSA-N 1 0 403.548 2.877 50 10 HFCARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589105 568770906 /nfs/dbraw/zinc/77/09/06/568770906.db2.gz JDJACADOKJBXLQ-JOCHJYFZSA-N 1 0 410.562 2.870 50 10 HFCARO COc1ccc(N2CCN(c3cc(N4CC[NH+](C)CC4)ccc3[N+](=O)[O-])CC2)cc1 ZINC000004754879 132287669 /nfs/dbraw/zinc/28/76/69/132287669.db2.gz WTVYRCCVTXSYFS-UHFFFAOYSA-N 1 0 411.506 2.682 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000009135660 132336204 /nfs/dbraw/zinc/33/62/04/132336204.db2.gz GZUJBGJPXAEVKT-JOCHJYFZSA-N 1 0 406.530 2.961 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC(C)(C)C)[NH+]3CCCCC3)ccc21 ZINC000009138436 132336606 /nfs/dbraw/zinc/33/66/06/132336606.db2.gz KJUKGOVCHCMGGX-HXUWFJFHSA-N 1 0 400.567 2.627 50 10 HFCARO C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000004330742 558262609 /nfs/dbraw/zinc/26/26/09/558262609.db2.gz LVEXXZRZYXNPLF-PGRDOPGGSA-N 1 0 408.546 2.883 50 10 HFCARO CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005349674 560571308 /nfs/dbraw/zinc/57/13/08/560571308.db2.gz GCZYSSSEFXESRS-JOCHJYFZSA-N 1 0 423.561 2.710 50 10 HFCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000008798836 560638672 /nfs/dbraw/zinc/63/86/72/560638672.db2.gz OWKZSFRVVAHGCP-NRFANRHFSA-N 1 0 417.575 2.967 50 10 HFCARO COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022418617 568767923 /nfs/dbraw/zinc/76/79/23/568767923.db2.gz BRVGMJBPIUTAQC-NRFANRHFSA-N 1 0 411.550 2.871 50 10 HFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964038 571190860 /nfs/dbraw/zinc/19/08/60/571190860.db2.gz HVODRLYGKDCOGF-QFIPXVFZSA-N 1 0 422.529 2.579 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+]3CCCC3)ccc21 ZINC000008964132 571190916 /nfs/dbraw/zinc/19/09/16/571190916.db2.gz GTOPPTKPSZJHLZ-QFIPXVFZSA-N 1 0 412.578 2.771 50 10 HFCARO COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000016944968 524845680 /nfs/dbraw/zinc/84/56/80/524845680.db2.gz YMGGFNPKLUFEDQ-FQEVSTJZSA-N 1 0 416.479 2.783 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NC(C)(C)C)[NH+]3CCCCC3)ccc21 ZINC000009138434 536397266 /nfs/dbraw/zinc/39/72/66/536397266.db2.gz KJUKGOVCHCMGGX-FQEVSTJZSA-N 1 0 400.567 2.627 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000004791983 536697277 /nfs/dbraw/zinc/69/72/77/536697277.db2.gz HHNAHNLWULKYGM-UHFFFAOYSA-N 1 0 413.478 2.937 50 10 HFCARO COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000002965888 557777460 /nfs/dbraw/zinc/77/74/60/557777460.db2.gz MPWUEAVKZCWXGW-FQEVSTJZSA-N 1 0 416.479 2.783 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022734761 557807878 /nfs/dbraw/zinc/80/78/78/557807878.db2.gz BESBOFRKRKVHPY-HSZRJFAPSA-N 1 0 410.537 2.927 50 10 HFCARO COc1ccc(N2CC[NH+](C[C@@H](O)COCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000023224703 559062687 /nfs/dbraw/zinc/06/26/87/559062687.db2.gz RVLPDHURWVDQOV-HXUWFJFHSA-N 1 0 420.937 2.927 50 10 HFCARO COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000005097661 559245166 /nfs/dbraw/zinc/24/51/66/559245166.db2.gz WABKJVWBERCTGS-GOSISDBHSA-N 1 0 401.507 2.811 50 10 HFCARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589375 568771173 /nfs/dbraw/zinc/77/11/73/568771173.db2.gz ZMKKHNQAQQXTEB-QFIPXVFZSA-N 1 0 410.562 2.545 50 10 HFCARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(O)c1 ZINC000104338823 569008327 /nfs/dbraw/zinc/00/83/27/569008327.db2.gz QPERDCNLGPZKSO-HXUWFJFHSA-N 1 0 400.519 2.787 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013007852 569406872 /nfs/dbraw/zinc/40/68/72/569406872.db2.gz IGCJYHSHHZKRTA-HSZRJFAPSA-N 1 0 420.557 2.639 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)[NH+](C)C)ccc21 ZINC000013008621 569406952 /nfs/dbraw/zinc/40/69/52/569406952.db2.gz LTYOGFZHNFKTGT-FQEVSTJZSA-N 1 0 416.472 2.705 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000008964110 571190632 /nfs/dbraw/zinc/19/06/32/571190632.db2.gz CGTSHYYVZCFWRA-NRFANRHFSA-N 1 0 410.493 2.710 50 10 HFCARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964034 571190651 /nfs/dbraw/zinc/19/06/51/571190651.db2.gz VPNGMNQKKWVKFG-HSZRJFAPSA-N 1 0 420.557 2.557 50 10 HFCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964054 571190806 /nfs/dbraw/zinc/19/08/06/571190806.db2.gz MUHOVYKMGORDNB-JOCHJYFZSA-N 1 0 406.530 2.879 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000008964107 571190908 /nfs/dbraw/zinc/19/09/08/571190908.db2.gz XEWQPEAQCSDQKQ-OAQYLSRUSA-N 1 0 410.493 2.710 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022733623 557807608 /nfs/dbraw/zinc/80/76/08/557807608.db2.gz AASOZAFVMXEOOI-NRFANRHFSA-N 1 0 414.500 2.676 50 10 HFCARO COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734703 557808008 /nfs/dbraw/zinc/80/80/08/557808008.db2.gz USNGRDWXFXKZPQ-XMMPIXPASA-N 1 0 422.573 2.796 50 10 HFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[NH+](C)C)cc1 ZINC000004330443 558262328 /nfs/dbraw/zinc/26/23/28/558262328.db2.gz DEWJYTXVLOEOOO-SFHVURJKSA-N 1 0 406.889 2.903 50 10 HFCARO CCOc1ccccc1CN1CC[N@H+](Cc2cc(OC)ccc2O)C[C@H]1CCO ZINC000104321134 569008202 /nfs/dbraw/zinc/00/82/02/569008202.db2.gz QXUDLMYMCANUMM-HXUWFJFHSA-N 1 0 400.519 2.868 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)NCCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000035597263 569045707 /nfs/dbraw/zinc/04/57/07/569045707.db2.gz QEAAGFVGGKSVIF-DEOSSOPVSA-N 1 0 421.589 2.509 50 10 HFCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000008798832 571120345 /nfs/dbraw/zinc/12/03/45/571120345.db2.gz KZPOXEKQZXISCI-NRFANRHFSA-N 1 0 403.548 2.659 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000009135485 536397730 /nfs/dbraw/zinc/39/77/30/536397730.db2.gz UBBSVZVRULSEAE-QHCPKHFHSA-N 1 0 420.557 2.639 50 10 HFCARO CCOC(=O)c1c(C[NH+](C)C)n(C)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000000862742 557104547 /nfs/dbraw/zinc/10/45/47/557104547.db2.gz NLRPAIRWFGHBQA-UHFFFAOYSA-N 1 0 412.328 2.946 50 10 HFCARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1O ZINC000004700314 557583561 /nfs/dbraw/zinc/58/35/61/557583561.db2.gz RRWWNRKYMHCQGL-UHFFFAOYSA-N 1 0 423.557 2.957 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)COc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734721 557807913 /nfs/dbraw/zinc/80/79/13/557807913.db2.gz WFRHTTPWMPCREA-DEOSSOPVSA-N 1 0 422.573 2.553 50 10 HFCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330675 558262576 /nfs/dbraw/zinc/26/25/76/558262576.db2.gz UDGCTXSBIXRJJC-OAQYLSRUSA-N 1 0 424.545 2.961 50 10 HFCARO COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000055245569 558877347 /nfs/dbraw/zinc/87/73/47/558877347.db2.gz DWMVYBVUQBKSTF-JOCHJYFZSA-N 1 0 414.594 2.684 50 10 HFCARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OC)c2O)C[C@@H]1CCO ZINC000019535541 558913787 /nfs/dbraw/zinc/91/37/87/558913787.db2.gz YIBUMSAGVNVHJH-FQEVSTJZSA-N 1 0 400.519 2.868 50 10 HFCARO COc1cc([C@H]2[NH2+]CCc3cc(O)c(O)cc32)cc(I)c1O ZINC000019691300 558960580 /nfs/dbraw/zinc/96/05/80/558960580.db2.gz YMHNWCOJIPSITM-OAHLLOKOSA-N 1 0 413.211 2.652 50 10 HFCARO O=C1C[C@H]([NH2+]CCN2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712844 559259439 /nfs/dbraw/zinc/25/94/39/559259439.db2.gz FCSGPOBPTKGRGB-NJGFXUCASA-N 1 0 407.474 2.656 50 10 HFCARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000064818015 569101216 /nfs/dbraw/zinc/10/12/16/569101216.db2.gz LZSRCLPXPLRDRE-UHFFFAOYSA-N 1 0 421.541 2.980 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)[NH+](C)C)ccc21 ZINC000013008627 569406939 /nfs/dbraw/zinc/40/69/39/569406939.db2.gz ILXMLBLPWBOPIJ-HXUWFJFHSA-N 1 0 416.472 2.705 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+](C)C)ccc21 ZINC000013008648 569406982 /nfs/dbraw/zinc/40/69/82/569406982.db2.gz ZFRGVBPGRUEEIA-HXUWFJFHSA-N 1 0 416.472 2.705 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)[NH+](C)C)ccc21 ZINC000013008625 569407037 /nfs/dbraw/zinc/40/70/37/569407037.db2.gz ILXMLBLPWBOPIJ-FQEVSTJZSA-N 1 0 416.472 2.705 50 10 HFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964041 571190709 /nfs/dbraw/zinc/19/07/09/571190709.db2.gz VYEIOPLINLRSGT-QFIPXVFZSA-N 1 0 406.530 2.879 50 10 HFCARO COc1cc(CC[NH+]2CCN(c3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000002572960 132255606 /nfs/dbraw/zinc/25/56/06/132255606.db2.gz CPEAMOBRKUISHP-UHFFFAOYSA-N 1 0 400.475 2.806 50 10 HFCARO COc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@@H]2CCO)cc1C ZINC000019635260 558947538 /nfs/dbraw/zinc/94/75/38/558947538.db2.gz PPLDIYHHAVFGHL-FQEVSTJZSA-N 1 0 400.519 2.787 50 10 HFCARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005098903 559244726 /nfs/dbraw/zinc/24/47/26/559244726.db2.gz CVIGCAKBEXWYDF-LJQANCHMSA-N 1 0 405.564 2.959 50 10 HFCARO COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000005097732 559245163 /nfs/dbraw/zinc/24/51/63/559245163.db2.gz IFSKBIHRBZFVPA-SFHVURJKSA-N 1 0 416.478 2.711 50 10 HFCARO COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000005097662 559245173 /nfs/dbraw/zinc/24/51/73/559245173.db2.gz WABKJVWBERCTGS-SFHVURJKSA-N 1 0 401.507 2.811 50 10 HFCARO COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCCC4)c3[O-])CC2)cc1 ZINC000101374350 560793511 /nfs/dbraw/zinc/79/35/11/560793511.db2.gz USSPVSZXFSKSLI-UHFFFAOYSA-N 1 0 413.518 2.662 50 10 HFCARO Cc1cc(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006587075 569067808 /nfs/dbraw/zinc/06/78/08/569067808.db2.gz DXXAAVKRMCCEIV-HUUCEWRRSA-N 1 0 403.548 2.902 50 10 HFCARO COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000002965890 569322639 /nfs/dbraw/zinc/32/26/39/569322639.db2.gz MPWUEAVKZCWXGW-HXUWFJFHSA-N 1 0 416.479 2.783 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013008049 569406796 /nfs/dbraw/zinc/40/67/96/569406796.db2.gz HNSQEOKSGHZIFO-JOCHJYFZSA-N 1 0 406.530 2.961 50 10 HFCARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008580 569407044 /nfs/dbraw/zinc/40/70/44/569407044.db2.gz MHPFXJQQDLTWSA-JOCHJYFZSA-N 1 0 424.545 2.825 50 10 HFCARO COc1cc(Br)cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O ZINC000005010363 557625112 /nfs/dbraw/zinc/62/51/12/557625112.db2.gz LNYMBHWYRVTNPE-OLZOCXBDSA-N 1 0 405.292 2.944 50 10 HFCARO COc1ccc([C@]2(O)C[N+](c3cc(OC)ccc3OC)=C3SCCCN32)cc1 ZINC000002965871 557777415 /nfs/dbraw/zinc/77/74/15/557777415.db2.gz FIXGJEQVHPCWNQ-OAQYLSRUSA-N 1 0 401.508 2.883 50 10 HFCARO COc1ccc(CN2CC[N@H+](Cc3cc(OC)ccc3O)C[C@@H]2CCO)c(F)c1 ZINC000020913772 558422393 /nfs/dbraw/zinc/42/23/93/558422393.db2.gz UJTMLRFZDCYWFA-SFHVURJKSA-N 1 0 404.482 2.617 50 10 HFCARO CCOc1cccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1O ZINC000014879917 558675675 /nfs/dbraw/zinc/67/56/75/558675675.db2.gz NVRDWFZHKXBRBK-AZUAARDMSA-N 1 0 418.534 2.600 50 10 HFCARO CNC(=O)CN1CCC([NH2+]Cc2cc(C)n(-c3ccc(F)c(F)c3F)c2C)CC1 ZINC000030905409 558744495 /nfs/dbraw/zinc/74/44/95/558744495.db2.gz JDRBXLZQAXNAFI-UHFFFAOYSA-N 1 0 408.468 2.811 50 10 HFCARO COc1ccc(CN2CC[N@H+](Cc3cc(OC)ccc3O)C[C@H]2CCO)c(F)c1 ZINC000039420587 558821039 /nfs/dbraw/zinc/82/10/39/558821039.db2.gz UJTMLRFZDCYWFA-GOSISDBHSA-N 1 0 404.482 2.617 50 10 HFCARO C[NH+]1CCN(c2ccc(CNC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)CC1 ZINC000065365166 558976172 /nfs/dbraw/zinc/97/61/72/558976172.db2.gz OGWVWBORURBUBQ-UHFFFAOYSA-N 1 0 414.509 2.868 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)NCCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000035597264 569045710 /nfs/dbraw/zinc/04/57/10/569045710.db2.gz QEAAGFVGGKSVIF-XMMPIXPASA-N 1 0 421.589 2.509 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+](C)C)ccc21 ZINC000013008676 569406989 /nfs/dbraw/zinc/40/69/89/569406989.db2.gz UIDKPROYHUNCCR-NRFANRHFSA-N 1 0 400.567 2.627 50 10 HFCARO CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1 ZINC000008963883 571190475 /nfs/dbraw/zinc/19/04/75/571190475.db2.gz YAKOQWZXMCQHPS-HXUWFJFHSA-N 1 0 412.559 2.758 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)[NH+]3CCCCC3)ccc21 ZINC000009138030 132336572 /nfs/dbraw/zinc/33/65/72/132336572.db2.gz VLNADFDRPJVKNW-JOCHJYFZSA-N 1 0 412.578 2.771 50 10 HFCARO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000009135441 535516329 /nfs/dbraw/zinc/51/63/29/535516329.db2.gz ZKKPJJKJKBTNQC-OAQYLSRUSA-N 1 0 424.545 2.825 50 10 HFCARO COc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)cc1 ZINC000002965952 557777647 /nfs/dbraw/zinc/77/76/47/557777647.db2.gz WEHKMIYGPAWGLA-NRFANRHFSA-N 1 0 401.508 2.883 50 10 HFCARO COc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)cc1 ZINC000002965954 557777683 /nfs/dbraw/zinc/77/76/83/557777683.db2.gz WEHKMIYGPAWGLA-OAQYLSRUSA-N 1 0 401.508 2.883 50 10 HFCARO CCOc1ccccc1CN1CC[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1CCO ZINC000019745704 558265994 /nfs/dbraw/zinc/26/59/94/558265994.db2.gz QXUDLMYMCANUMM-FQEVSTJZSA-N 1 0 400.519 2.868 50 10 HFCARO COc1cc([C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc(I)c1O ZINC000019691298 558960613 /nfs/dbraw/zinc/96/06/13/558960613.db2.gz YMHNWCOJIPSITM-HNNXBMFYSA-N 1 0 413.211 2.652 50 10 HFCARO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005349681 560571273 /nfs/dbraw/zinc/57/12/73/560571273.db2.gz GCZYSSSEFXESRS-QFIPXVFZSA-N 1 0 423.561 2.710 50 10 HFCARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589387 568771149 /nfs/dbraw/zinc/77/11/49/568771149.db2.gz HIJRIJAIDXUBAQ-QHCPKHFHSA-N 1 0 410.562 2.545 50 10 HFCARO Cc1cc(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006587073 569067828 /nfs/dbraw/zinc/06/78/28/569067828.db2.gz DXXAAVKRMCCEIV-GJZGRUSLSA-N 1 0 403.548 2.902 50 10 HFCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cc(F)ccc3F)[NH+](C)C)ccc21 ZINC000008798789 571120426 /nfs/dbraw/zinc/12/04/26/571120426.db2.gz LKUIVOPCKNYNNQ-LJQANCHMSA-N 1 0 409.502 2.928 50 10 HFCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c(C)c1 ZINC000008963978 571190555 /nfs/dbraw/zinc/19/05/55/571190555.db2.gz LTAJMLMFAQRWOI-OAQYLSRUSA-N 1 0 408.546 2.962 50 10 HFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1Cl ZINC000008964002 571190837 /nfs/dbraw/zinc/19/08/37/571190837.db2.gz VCXPLLIARHAJPB-HXUWFJFHSA-N 1 0 414.937 2.998 50 10 HFCARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000009135440 132228555 /nfs/dbraw/zinc/22/85/55/132228555.db2.gz ZKKPJJKJKBTNQC-NRFANRHFSA-N 1 0 424.545 2.825 50 10 HFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)c1O ZINC000011911066 558296926 /nfs/dbraw/zinc/29/69/26/558296926.db2.gz VSDUJVNTOUBEJE-HXUWFJFHSA-N 1 0 415.538 2.664 50 10 HFCARO C[C@@H]1C[NH+](CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)C[C@@H](C)O1 ZINC000026529597 558662270 /nfs/dbraw/zinc/66/22/70/558662270.db2.gz AQSUKKFGJDVHGR-IAGOWNOFSA-N 1 0 402.564 2.795 50 10 HFCARO C[C@H]1C[NH+](CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)C[C@H](C)O1 ZINC000026529609 558662283 /nfs/dbraw/zinc/66/22/83/558662283.db2.gz AQSUKKFGJDVHGR-IRXDYDNUSA-N 1 0 402.564 2.795 50 10 HFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c1O ZINC000014968014 558686330 /nfs/dbraw/zinc/68/63/30/558686330.db2.gz XBYCILXGEYLACN-SFHVURJKSA-N 1 0 415.538 2.664 50 10 HFCARO CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000023224707 559062662 /nfs/dbraw/zinc/06/26/62/559062662.db2.gz VMAMOJAPGXUFQI-QFIPXVFZSA-N 1 0 414.546 2.836 50 10 HFCARO COc1ccc(N2CC[NH+](C[C@H](O)COCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000023224704 559062700 /nfs/dbraw/zinc/06/27/00/559062700.db2.gz RVLPDHURWVDQOV-FQEVSTJZSA-N 1 0 420.937 2.927 50 10 HFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000005340876 560567784 /nfs/dbraw/zinc/56/77/84/560567784.db2.gz WNUNEUPWZIQRBU-OAQYLSRUSA-N 1 0 400.567 2.845 50 10 HFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)[NH+]2CCCC2)cc1 ZINC000005341020 560567795 /nfs/dbraw/zinc/56/77/95/560567795.db2.gz MXTNYNKVYCFFPS-FQEVSTJZSA-N 1 0 416.472 2.923 50 10 HFCARO COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022418577 568767871 /nfs/dbraw/zinc/76/78/71/568767871.db2.gz RUEXBCQZZKSWOI-QFIPXVFZSA-N 1 0 411.550 2.871 50 10 HFCARO COC(=O)c1cn(C[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588189 568883567 /nfs/dbraw/zinc/88/35/67/568883567.db2.gz QEYNEMMYOBSPMQ-FQEVSTJZSA-N 1 0 423.517 2.756 50 10 HFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964037 571190802 /nfs/dbraw/zinc/19/08/02/571190802.db2.gz HVODRLYGKDCOGF-JOCHJYFZSA-N 1 0 422.529 2.579 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000008964108 571190873 /nfs/dbraw/zinc/19/08/73/571190873.db2.gz XEWQPEAQCSDQKQ-NRFANRHFSA-N 1 0 410.493 2.710 50 10 HFCARO CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022733610 557807512 /nfs/dbraw/zinc/80/75/12/557807512.db2.gz WFUVZMQBWCAEBW-HSZRJFAPSA-N 1 0 422.573 2.796 50 10 HFCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330669 558262613 /nfs/dbraw/zinc/26/26/13/558262613.db2.gz UDGCTXSBIXRJJC-NRFANRHFSA-N 1 0 424.545 2.961 50 10 HFCARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964177 571191028 /nfs/dbraw/zinc/19/10/28/571191028.db2.gz VUBAGZUJBAZOFT-OAQYLSRUSA-N 1 0 422.529 2.579 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCC3)ccc21 ZINC000009135520 536397726 /nfs/dbraw/zinc/39/77/26/536397726.db2.gz VSJJYBHHAKFUOG-QFIPXVFZSA-N 1 0 412.578 2.771 50 10 HFCARO CC(C)NC(=O)CN1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000022804231 558513583 /nfs/dbraw/zinc/51/35/83/558513583.db2.gz JUZDBEGGCDUTQV-UHFFFAOYSA-N 1 0 420.351 2.950 50 10 HFCARO CCOc1cccc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1O ZINC000014879918 558675794 /nfs/dbraw/zinc/67/57/94/558675794.db2.gz NVRDWFZHKXBRBK-UYAOXDASSA-N 1 0 418.534 2.600 50 10 HFCARO CC[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1cc(Br)ccc1O ZINC000072305015 558757026 /nfs/dbraw/zinc/75/70/26/558757026.db2.gz KAQGBLJNNATNHW-UHFFFAOYSA-N 1 0 413.337 2.955 50 10 HFCARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3ccccc3O)CC2)CC1 ZINC000039362472 558820488 /nfs/dbraw/zinc/82/04/88/558820488.db2.gz DFIQURAKZXSZLK-UHFFFAOYSA-N 1 0 408.546 2.780 50 10 HFCARO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008800802 560639574 /nfs/dbraw/zinc/63/95/74/560639574.db2.gz CUALGTNSCCNEFL-SFHVURJKSA-N 1 0 423.966 2.922 50 10 HFCARO COc1ccc(/C=C2\SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000002973745 568832119 /nfs/dbraw/zinc/83/21/19/568832119.db2.gz ZFJANJXGVHAPFC-SSZFMOIBSA-N 1 0 408.545 2.781 50 10 HFCARO COc1ccc(N2CC[NH+](CC[C@@H]3Oc4ccc([N+](=O)[O-])cc4NC3=O)CC2)cc1 ZINC000001399540 568926011 /nfs/dbraw/zinc/92/60/11/568926011.db2.gz WOURLHRFNVFMPF-FQEVSTJZSA-N 1 0 412.446 2.515 50 10 HFCARO COc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@H]2CCO)cc1C ZINC000104445647 569008715 /nfs/dbraw/zinc/00/87/15/569008715.db2.gz PPLDIYHHAVFGHL-HXUWFJFHSA-N 1 0 400.519 2.787 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)Nc3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000035597247 569045712 /nfs/dbraw/zinc/04/57/12/569045712.db2.gz MYMJCNGKUWIZJJ-QFIPXVFZSA-N 1 0 411.525 2.928 50 10 HFCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3cc(F)ccc3F)[NH+](C)C)ccc21 ZINC000008798791 571120481 /nfs/dbraw/zinc/12/04/81/571120481.db2.gz LKUIVOPCKNYNNQ-IBGZPJMESA-N 1 0 409.502 2.928 50 10 HFCARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(O)c1 ZINC000020202839 558346055 /nfs/dbraw/zinc/34/60/55/558346055.db2.gz QPERDCNLGPZKSO-FQEVSTJZSA-N 1 0 400.519 2.787 50 10 HFCARO COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000005097731 559245197 /nfs/dbraw/zinc/24/51/97/559245197.db2.gz IFSKBIHRBZFVPA-GOSISDBHSA-N 1 0 416.478 2.711 50 10 HFCARO O=C1C[C@@H]([NH2+]CCN2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712847 559259447 /nfs/dbraw/zinc/25/94/47/559259447.db2.gz FCSGPOBPTKGRGB-CPSPCKPPSA-N 1 0 407.474 2.656 50 10 HFCARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000005341037 560567801 /nfs/dbraw/zinc/56/78/01/560567801.db2.gz DFHIRJDRNGXLOK-NRFANRHFSA-N 1 0 410.518 2.653 50 10 HFCARO COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022418576 568767805 /nfs/dbraw/zinc/76/78/05/568767805.db2.gz RUEXBCQZZKSWOI-JOCHJYFZSA-N 1 0 411.550 2.871 50 10 HFCARO CCOc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589197 568770899 /nfs/dbraw/zinc/77/08/99/568770899.db2.gz UJANDVGYNJBRKO-DEOSSOPVSA-N 1 0 424.589 2.799 50 10 HFCARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(OC)cc2O)C[C@H]1CCO ZINC000104529126 569009058 /nfs/dbraw/zinc/00/90/58/569009058.db2.gz BMTIUXBXPVRKNW-HXUWFJFHSA-N 1 0 400.519 2.868 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)NCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000035597185 569045657 /nfs/dbraw/zinc/04/56/57/569045657.db2.gz NSSGCRHUKNTJMR-DEOSSOPVSA-N 1 0 421.589 2.857 50 10 HFCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964053 571190776 /nfs/dbraw/zinc/19/07/76/571190776.db2.gz MUHOVYKMGORDNB-QFIPXVFZSA-N 1 0 406.530 2.879 50 10 HFCARO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964129 571190797 /nfs/dbraw/zinc/19/07/97/571190797.db2.gz RHDYFKUFUQUFNP-JOCHJYFZSA-N 1 0 422.529 2.579 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734724 557807948 /nfs/dbraw/zinc/80/79/48/557807948.db2.gz WFRHTTPWMPCREA-XMMPIXPASA-N 1 0 422.573 2.553 50 10 HFCARO Cc1cc(C(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000013014027 558503566 /nfs/dbraw/zinc/50/35/66/558503566.db2.gz DXXAAVKRMCCEIV-GASCZTMLSA-N 1 0 403.548 2.902 50 10 HFCARO COc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000016134119 558773163 /nfs/dbraw/zinc/77/31/63/558773163.db2.gz ZFJANJXGVHAPFC-DTQAZKPQSA-N 1 0 408.545 2.781 50 10 HFCARO COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000016944973 558809682 /nfs/dbraw/zinc/80/96/82/558809682.db2.gz YMGGFNPKLUFEDQ-HXUWFJFHSA-N 1 0 416.479 2.783 50 10 HFCARO CN(C)C(=O)c1c(C[NH+](C)C)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085393721 568984773 /nfs/dbraw/zinc/98/47/73/568984773.db2.gz XASPAGNFRZBSJJ-UHFFFAOYSA-N 1 0 409.534 2.771 50 10 HFCARO COc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@H]2CCO)c(F)c1 ZINC000104509876 569008962 /nfs/dbraw/zinc/00/89/62/569008962.db2.gz IQROCGWNCKMEJY-GOSISDBHSA-N 1 0 404.482 2.617 50 10 HFCARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC000036615782 569207042 /nfs/dbraw/zinc/20/70/42/569207042.db2.gz XWADITOELJVIRZ-UHFFFAOYSA-N 1 0 418.545 2.836 50 10 HFCARO CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008963904 571190414 /nfs/dbraw/zinc/19/04/14/571190414.db2.gz KLXIWJVXPZNIJN-IBGZPJMESA-N 1 0 412.559 2.758 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+](C)C)ccc21 ZINC000013008678 132451989 /nfs/dbraw/zinc/45/19/89/132451989.db2.gz UIDKPROYHUNCCR-OAQYLSRUSA-N 1 0 400.567 2.627 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000009919416 536696834 /nfs/dbraw/zinc/69/68/34/536696834.db2.gz VDLVVKVNGRRVOA-UHFFFAOYSA-N 1 0 410.518 2.596 50 10 HFCARO C[NH+]1CCN(N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 ZINC000004646575 557574870 /nfs/dbraw/zinc/57/48/70/557574870.db2.gz JNFYFZAXIFVYMM-BMRADRMJSA-N 1 0 418.526 2.683 50 10 HFCARO O=c1cc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nc2sccn21 ZINC000022772627 558509109 /nfs/dbraw/zinc/50/91/09/558509109.db2.gz SJARLDJYLJANLX-UHFFFAOYSA-N 1 0 406.511 2.933 50 10 HFCARO O=S(=O)(N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCCCCC1 ZINC000014200374 558636076 /nfs/dbraw/zinc/63/60/76/558636076.db2.gz DSRALFIHHACOOB-UHFFFAOYSA-N 1 0 403.548 2.784 50 10 HFCARO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008800800 560639592 /nfs/dbraw/zinc/63/95/92/560639592.db2.gz CUALGTNSCCNEFL-GOSISDBHSA-N 1 0 423.966 2.922 50 10 HFCARO CN(C)c1ccc([C@@H](CNC(=O)NCCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022418646 568767875 /nfs/dbraw/zinc/76/78/75/568767875.db2.gz YOOZIMKTRLSAOX-XMMPIXPASA-N 1 0 423.605 2.973 50 10 HFCARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589394 568771157 /nfs/dbraw/zinc/77/11/57/568771157.db2.gz HIJRIJAIDXUBAQ-HSZRJFAPSA-N 1 0 410.562 2.545 50 10 HFCARO CN1CCCc2cc([C@@H](CNC(=O)NCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000035597186 569045635 /nfs/dbraw/zinc/04/56/35/569045635.db2.gz NSSGCRHUKNTJMR-XMMPIXPASA-N 1 0 421.589 2.857 50 10 HFCARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1Cc1cccc(Cl)c1 ZINC000019229134 569414548 /nfs/dbraw/zinc/41/45/48/569414548.db2.gz ZVVDHACAJLJJTD-FPOVZHCZSA-N 1 0 400.954 2.885 50 10 HFCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccccc3F)[NH+]3CCCC3)ccc21 ZINC000008800949 571120502 /nfs/dbraw/zinc/12/05/02/571120502.db2.gz UQSSKXBCDAYVHF-FQEVSTJZSA-N 1 0 403.523 2.933 50 10 HFCARO CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008963903 571190341 /nfs/dbraw/zinc/19/03/41/571190341.db2.gz KLXIWJVXPZNIJN-LJQANCHMSA-N 1 0 412.559 2.758 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000008611031 536696593 /nfs/dbraw/zinc/69/65/93/536696593.db2.gz DUHNRTYFGFKJOF-HXUWFJFHSA-N 1 0 409.530 2.575 50 10 HFCARO CCOc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589203 568770935 /nfs/dbraw/zinc/77/09/35/568770935.db2.gz UJANDVGYNJBRKO-XMMPIXPASA-N 1 0 424.589 2.799 50 10 HFCARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000008429088 569002577 /nfs/dbraw/zinc/00/25/77/569002577.db2.gz NLJICDXPDDNUPT-UHFFFAOYSA-N 1 0 417.575 2.844 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1 ZINC000015786340 569007549 /nfs/dbraw/zinc/00/75/49/569007549.db2.gz RYPUDYBHKSCDNK-UHFFFAOYSA-N 1 0 407.514 2.800 50 10 HFCARO CCOc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@H]2CCO)cc1 ZINC000104497027 569008930 /nfs/dbraw/zinc/00/89/30/569008930.db2.gz HMOSTZUVQPYMHZ-HXUWFJFHSA-N 1 0 400.519 2.868 50 10 HFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013008051 569406838 /nfs/dbraw/zinc/40/68/38/569406838.db2.gz HNSQEOKSGHZIFO-QFIPXVFZSA-N 1 0 406.530 2.961 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)[NH+]3CCCC3)ccc21 ZINC000008964095 571190901 /nfs/dbraw/zinc/19/09/01/571190901.db2.gz VJOCSELXIHGFAF-HSZRJFAPSA-N 1 0 424.589 2.939 50 10 HFCARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022733614 557807438 /nfs/dbraw/zinc/80/74/38/557807438.db2.gz WFUVZMQBWCAEBW-QHCPKHFHSA-N 1 0 422.573 2.796 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022733625 557807664 /nfs/dbraw/zinc/80/76/64/557807664.db2.gz AASOZAFVMXEOOI-OAQYLSRUSA-N 1 0 414.500 2.676 50 10 HFCARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734706 557807978 /nfs/dbraw/zinc/80/79/78/557807978.db2.gz USNGRDWXFXKZPQ-DEOSSOPVSA-N 1 0 422.573 2.796 50 10 HFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[NH+](C)C)cc1 ZINC000004330440 558262086 /nfs/dbraw/zinc/26/20/86/558262086.db2.gz DEWJYTXVLOEOOO-GOSISDBHSA-N 1 0 406.889 2.903 50 10 HFCARO Oc1ccccc1C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998527 558427344 /nfs/dbraw/zinc/42/73/44/558427344.db2.gz RDZWGTGTUFYKHN-NRFANRHFSA-N 1 0 409.530 2.903 50 10 HFCARO CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCN1CC[NH2+]CC1 ZINC000022858910 558951543 /nfs/dbraw/zinc/95/15/43/558951543.db2.gz QAGNNAQBZQGBIV-CYVLTUHYSA-N 1 0 412.563 2.568 50 10 HFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000005098987 559244718 /nfs/dbraw/zinc/24/47/18/559244718.db2.gz NAILFXZFIAVITI-HXUWFJFHSA-N 1 0 418.519 2.776 50 10 HFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000005340882 560567730 /nfs/dbraw/zinc/56/77/30/560567730.db2.gz WNUNEUPWZIQRBU-NRFANRHFSA-N 1 0 400.567 2.845 50 10 HFCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000008798837 560638664 /nfs/dbraw/zinc/63/86/64/560638664.db2.gz OWKZSFRVVAHGCP-OAQYLSRUSA-N 1 0 417.575 2.967 50 10 HFCARO CN(C)c1ccc([C@H](CNC(=O)NCCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022418645 568767787 /nfs/dbraw/zinc/76/77/87/568767787.db2.gz YOOZIMKTRLSAOX-DEOSSOPVSA-N 1 0 423.605 2.973 50 10 HFCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000013008564 569406963 /nfs/dbraw/zinc/40/69/63/569406963.db2.gz PUYHTUUHHXMYOP-OAQYLSRUSA-N 1 0 424.545 2.744 50 10 HFCARO COc1ccc(N2CC[NH+](CC[C@@H]3Oc4cc([N+](=O)[O-])ccc4NC3=O)CC2)cc1 ZINC000004053875 536698397 /nfs/dbraw/zinc/69/83/97/536698397.db2.gz QEXFPEMHAAJAIU-IBGZPJMESA-N 1 0 412.446 2.515 50 10 HFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)[NH+]2CCCC2)cc1 ZINC000004330712 558262623 /nfs/dbraw/zinc/26/26/23/558262623.db2.gz GMPOEHYYXVFDAT-HXUWFJFHSA-N 1 0 416.472 2.923 50 10 HFCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098961 559244700 /nfs/dbraw/zinc/24/47/00/559244700.db2.gz RBIPXEAKCSHJDA-OAQYLSRUSA-N 1 0 403.548 2.877 50 10 HFCARO COc1ccc(N2CCN(C(=O)c3cc(F)ccc3OCCC[NH3+])[C@H](C)C2)cc1 ZINC000426401976 569072732 /nfs/dbraw/zinc/07/27/32/569072732.db2.gz QPDABGAJSOJATP-MRXNPFEDSA-N 1 0 401.482 2.913 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+](C)C)ccc21 ZINC000013008643 569406917 /nfs/dbraw/zinc/40/69/17/569406917.db2.gz ZFRGVBPGRUEEIA-FQEVSTJZSA-N 1 0 416.472 2.705 50 10 HFCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000008800955 571120450 /nfs/dbraw/zinc/12/04/50/571120450.db2.gz KURQLLHCQITFAO-NRFANRHFSA-N 1 0 403.523 2.933 50 10 HFCARO C[NH+](C)CCCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000020023232 524057137 /nfs/dbraw/zinc/05/71/37/524057137.db2.gz DGOJMKAMTPJPLL-UHFFFAOYSA-N 1 0 408.527 2.777 50 10 HFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330493 558262307 /nfs/dbraw/zinc/26/23/07/558262307.db2.gz CMTSXJMGOXKHTO-NRFANRHFSA-N 1 0 410.518 2.653 50 10 HFCARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330594 558262310 /nfs/dbraw/zinc/26/23/10/558262310.db2.gz NAOPOFICMUBQIH-HXUWFJFHSA-N 1 0 410.518 2.653 50 10 HFCARO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000004330736 558262603 /nfs/dbraw/zinc/26/26/03/558262603.db2.gz LVEXXZRZYXNPLF-GCJKJVERSA-N 1 0 408.546 2.883 50 10 HFCARO O=C(CN1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1)NC1CC1 ZINC000022775237 558509404 /nfs/dbraw/zinc/50/94/04/558509404.db2.gz FGKIYHCOAGOCAZ-UHFFFAOYSA-N 1 0 418.335 2.704 50 10 HFCARO C[C@@H]1C[N@@H+](CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)C[C@H](C)O1 ZINC000026529601 558662345 /nfs/dbraw/zinc/66/23/45/558662345.db2.gz AQSUKKFGJDVHGR-CALCHBBNSA-N 1 0 402.564 2.795 50 10 HFCARO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000005341028 560567806 /nfs/dbraw/zinc/56/78/06/560567806.db2.gz DFHIRJDRNGXLOK-OAQYLSRUSA-N 1 0 410.518 2.653 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000015787257 569007687 /nfs/dbraw/zinc/00/76/87/569007687.db2.gz AHTXUUVZTOFPRL-HXUWFJFHSA-N 1 0 424.545 2.510 50 10 HFCARO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000054468714 569284215 /nfs/dbraw/zinc/28/42/15/569284215.db2.gz AKALRTLDXCABNJ-AWEZNQCLSA-N 1 0 413.337 2.822 50 10 HFCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008964006 571190825 /nfs/dbraw/zinc/19/08/25/571190825.db2.gz ZSMBASLHKQMUEW-HXUWFJFHSA-N 1 0 414.937 2.998 50 10 HFCARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964178 571191042 /nfs/dbraw/zinc/19/10/42/571191042.db2.gz VUBAGZUJBAZOFT-NRFANRHFSA-N 1 0 422.529 2.579 50 10 HFCARO CN1CCc2cc([C@@H](CNC(=O)NCc3cccs3)N3CC[NH+](C)CC3)ccc21 ZINC000036705432 523998013 /nfs/dbraw/zinc/99/80/13/523998013.db2.gz YPJWFRNFBAZMCL-OAQYLSRUSA-N 1 0 413.591 2.528 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3noc4ccccc34)CC2)cc1 ZINC000032764264 524423680 /nfs/dbraw/zinc/42/36/80/524423680.db2.gz PIKZKNIUTYATTR-UHFFFAOYSA-N 1 0 408.502 2.707 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000011853380 536696424 /nfs/dbraw/zinc/69/64/24/536696424.db2.gz XKRJFMFXXZTXRQ-UHFFFAOYSA-N 1 0 413.518 2.655 50 10 HFCARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330599 558262319 /nfs/dbraw/zinc/26/23/19/558262319.db2.gz NAOPOFICMUBQIH-FQEVSTJZSA-N 1 0 410.518 2.653 50 10 HFCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 ZINC000019909157 558306216 /nfs/dbraw/zinc/30/62/16/558306216.db2.gz QHJJVSMNDRYADP-IBGZPJMESA-N 1 0 424.497 2.672 50 10 HFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1Cl ZINC000008964001 571190892 /nfs/dbraw/zinc/19/08/92/571190892.db2.gz VCXPLLIARHAJPB-FQEVSTJZSA-N 1 0 414.937 2.998 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000032754913 524425074 /nfs/dbraw/zinc/42/50/74/524425074.db2.gz XVUHWUQGRQUGIV-UHFFFAOYSA-N 1 0 414.525 2.888 50 10 HFCARO CN1CCCc2cc([C@H](CNC(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022734758 557807989 /nfs/dbraw/zinc/80/79/89/557807989.db2.gz BESBOFRKRKVHPY-QHCPKHFHSA-N 1 0 410.537 2.927 50 10 HFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1O ZINC000023358684 558551545 /nfs/dbraw/zinc/55/15/45/558551545.db2.gz SQRDJBNJUJWPJE-FQEVSTJZSA-N 1 0 400.519 2.868 50 10 HFCARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005098902 559244657 /nfs/dbraw/zinc/24/46/57/559244657.db2.gz CVIGCAKBEXWYDF-IBGZPJMESA-N 1 0 405.564 2.959 50 10 HFCARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589099 568770925 /nfs/dbraw/zinc/77/09/25/568770925.db2.gz JDJACADOKJBXLQ-QFIPXVFZSA-N 1 0 410.562 2.870 50 10 HFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964042 571190700 /nfs/dbraw/zinc/19/07/00/571190700.db2.gz VYEIOPLINLRSGT-JOCHJYFZSA-N 1 0 406.530 2.879 50 10 HFCARO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000004330748 558262586 /nfs/dbraw/zinc/26/25/86/558262586.db2.gz LVEXXZRZYXNPLF-XMSQKQJNSA-N 1 0 408.546 2.883 50 10 HFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)[NH+]2CCCC2)cc1 ZINC000004330715 558262597 /nfs/dbraw/zinc/26/25/97/558262597.db2.gz GMPOEHYYXVFDAT-FQEVSTJZSA-N 1 0 416.472 2.923 50 10 HFCARO COc1ccc(N2CCN(C(=O)c3cc(F)ccc3OCCC[NH3+])[C@@H](C)C2)cc1 ZINC000426401962 569072717 /nfs/dbraw/zinc/07/27/17/569072717.db2.gz QPDABGAJSOJATP-INIZCTEOSA-N 1 0 401.482 2.913 50 10 HFCARO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000054468713 569284210 /nfs/dbraw/zinc/28/42/10/569284210.db2.gz AKALRTLDXCABNJ-CQSZACIVSA-N 1 0 413.337 2.822 50 10 HFCARO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(-c4ccno4)s3)cc2)CC1 ZINC000012368803 536421140 /nfs/dbraw/zinc/42/11/40/536421140.db2.gz UKPWPDTZWRJSFJ-UHFFFAOYSA-N 1 0 418.544 2.633 50 10 HFCARO COc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@@H]2CCO)c(F)c1 ZINC000020515076 558382725 /nfs/dbraw/zinc/38/27/25/558382725.db2.gz IQROCGWNCKMEJY-SFHVURJKSA-N 1 0 404.482 2.617 50 10 HFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)/C=C/c4ccncc4)C3)CC2)cc1 ZINC000067909850 558994758 /nfs/dbraw/zinc/99/47/58/558994758.db2.gz HRZHBEAEYWVXOG-LQPWBEKMSA-N 1 0 406.530 2.917 50 10 HFCARO COC(=O)c1cn(C[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588190 568883490 /nfs/dbraw/zinc/88/34/90/568883490.db2.gz QEYNEMMYOBSPMQ-HXUWFJFHSA-N 1 0 423.517 2.756 50 10 HFCARO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000015787256 569007696 /nfs/dbraw/zinc/00/76/96/569007696.db2.gz AHTXUUVZTOFPRL-FQEVSTJZSA-N 1 0 424.545 2.510 50 10 HFCARO Cn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000036616595 569207627 /nfs/dbraw/zinc/20/76/27/569207627.db2.gz UZQGRTFIXKMUIO-UHFFFAOYSA-N 1 0 404.518 2.528 50 10 HFCARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008581 569407033 /nfs/dbraw/zinc/40/70/33/569407033.db2.gz MHPFXJQQDLTWSA-QFIPXVFZSA-N 1 0 424.545 2.825 50 10 HFCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c(C)c1 ZINC000008963977 571190530 /nfs/dbraw/zinc/19/05/30/571190530.db2.gz LTAJMLMFAQRWOI-NRFANRHFSA-N 1 0 408.546 2.962 50 10 HFCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008964005 571190843 /nfs/dbraw/zinc/19/08/43/571190843.db2.gz ZSMBASLHKQMUEW-FQEVSTJZSA-N 1 0 414.937 2.998 50 10 HFCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 ZINC000019909154 558306176 /nfs/dbraw/zinc/30/61/76/558306176.db2.gz QHJJVSMNDRYADP-LJQANCHMSA-N 1 0 424.497 2.672 50 10 HFCARO O=S(=O)(Nc1cccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)c1)c1ccc(F)cc1 ZINC000015002943 558698366 /nfs/dbraw/zinc/69/83/66/558698366.db2.gz KKQUKLSAHDEEDK-LJQANCHMSA-N 1 0 419.522 2.974 50 10 HFCARO Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048309 558885329 /nfs/dbraw/zinc/88/53/29/558885329.db2.gz SWAYYGSSXUJFGQ-UHFFFAOYSA-N 1 0 424.574 2.748 50 10 HFCARO C[N@H+]1C[C@]2(C(=O)Nc3ccccc32)[C@@]2(C1)SC(=S)N(Cc1ccccc1)C2=O ZINC000097944010 558950992 /nfs/dbraw/zinc/95/09/92/558950992.db2.gz PKBRSPNFXZCCRU-SFTDATJTSA-N 1 0 409.536 2.621 50 10 HFCARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005340633 560567721 /nfs/dbraw/zinc/56/77/21/560567721.db2.gz UEVDVBYHWGZWRD-QFIPXVFZSA-N 1 0 408.546 2.631 50 10 HFCARO COc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022418615 568767837 /nfs/dbraw/zinc/76/78/37/568767837.db2.gz BRVGMJBPIUTAQC-OAQYLSRUSA-N 1 0 411.550 2.871 50 10 HFCARO CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589268 568771198 /nfs/dbraw/zinc/77/11/98/568771198.db2.gz KXYGGKSYBCPXNJ-HSZRJFAPSA-N 1 0 410.562 2.870 50 10 HFCARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589263 568771204 /nfs/dbraw/zinc/77/12/04/568771204.db2.gz KXYGGKSYBCPXNJ-QHCPKHFHSA-N 1 0 410.562 2.870 50 10 HFCARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OC)c2O)C[C@H]1CCO ZINC000104440509 569008701 /nfs/dbraw/zinc/00/87/01/569008701.db2.gz YIBUMSAGVNVHJH-HXUWFJFHSA-N 1 0 400.519 2.868 50 10 HFCARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964130 571190762 /nfs/dbraw/zinc/19/07/62/571190762.db2.gz RHDYFKUFUQUFNP-QFIPXVFZSA-N 1 0 422.529 2.579 50 10 HFCARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964033 571190910 /nfs/dbraw/zinc/19/09/10/571190910.db2.gz VPNGMNQKKWVKFG-QHCPKHFHSA-N 1 0 420.557 2.557 50 10 HFCARO